Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others  /  Custom Manufacturing
3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo- structure
3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo- structure

3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo-

Iupac Name:(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-3-carboxy-1-[(3S,4R)-4-hydroxy-3-methyl-1-oxonia-2-azabicyclo[1.1.0]butan-2-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CAS No.: 12769-07-2
Molecular Weight:915.01922
Modify Date.: 2022-03-22 04:27
1. Names and Identifiers
1.1 Name
3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo-
1.2 Synonyms

3-Quinolinecarboxam N-(3-Acetamido-4-et N-(3-Acétamido-4-ét

1.3 CAS No.
12769-07-2
1.4 CID
11963669
1.5 Molecular Formula
C17H27N3O (isomer)
1.6 Inchi
InChI=1S/C40H67N9O15/c1-17(2)11-22(42-32(56)23(12-18(3)4)44-36(60)27(16-50)47-37(61)30(20(7)8)48-31(55)21(9)41)33(57)45-25(14-28(51)52)35(59)43-24(13-19(5)6)34(58)46-26(15-29(53)54)38(62)49-40(10)39(63)64(40)49/h17-27,30,39,50,63H,11-16,41H2,1-10H3,(H8-,42,43,44,45,46,47,48,51,52,53,54,55,56,57,58,59,60,61)/p+1/t21-,22-,23-,24-,25-,26-,27-,30-,39+,40-,49?/m0/s1
1.7 InChkey
CNGYCRCEAWEDIL-PHZZBMITSA-O
1.8 Canonical Smiles
CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)N1C2([O+]1C2O)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C)N
1.9 Isomers Smiles
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1[C@]2([O+]1[C@H]2O)C)N
2. Properties
3.1 Density
1.27±0.1 g/cm3(Predicted)
3.1 Boiling point
321.0±37.0 °C at 760 mmHg (Predicted)
3. Computational chemical data
  • Molecular Weight: 915.01922g/mol
  • Molecular Formula: C17H27N3O
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 914.48348750
  • Monoisotopic Mass: 914.48348750
  • Complexity: 1760
  • Rotatable Bond Count: 27
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 15
  • Topological Polar Surface Area: 366
  • Heavy Atom Count: 64
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
4. Recommended Suppliers
Global9SuppliersView all >>
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Reactive Red 23
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/03/06
Inquire
  • Tel:86-574-83851061 86-574-87083208
Reactive Red 23
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
  • Tel:+86-574-89075960
C.I. Reactive Red 23
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/22
Inquire
  • Products:PEG Products,OLED Products,Research Products,Natural Products,
  • Tel:1-631-5046093
Reactive Red 23
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2014/04/25
Inquire
  • Products:dyes, intermediate, APIs
  • Tel:86-0571-85270505
REACTIVE RED 23
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire