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Home> Encyclopedia > Hot Product Listed A   > AB1004481
1187568-16-6 structure

AB1004481

Iupac Name:7-methoxy-3-methyl-2-phenylquinazolin-4-one
CAS No.:1187568-16-6
Molecular Weight:266.3
Molecular Formula:C16H14N2O2 (isomer)
Names and Identifiers
Synonyms

7-methoxy-3-methyl-2-phenyl-4(3h)-quinazolinone 7-methoxy-3-methyl-2-phenylquinazolin-4(3h)-one 7-methoxy-3-methyl-2-phenylquinazolin-4-one AKOS015950827 BG01559899 DTXSID70658012 F9994-0102 MOLPORT-021-783-024 SCHEMBL1463663 ZINC72194381

Inchi
InChI=1S/C16H14N2O2/c1-18-15(11-6-4-3-5-7-11)17-14-10-12(20-2)8-9-13(14)16(18)19/h3-10H,1-2H3
InChkey
CAPYSCGIBNZCLS-UHFFFAOYSA-N
Canonical Smiles
CN1C(=NC2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3
Computational chemical data
  • Molecular Weight:266.3g/mol
  • Molecular Formula:C16H14N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:266.106
  • Monoisotopic Mass:266.106
  • Complexity:401
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.9A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAAAAAADAyBmAYzxoMABACo AidydACCCAEkIgAJiAEubNgMJrqE/ZuEMahmxhmI6ceY3APOIAAAAgACAABAAAAEAAQAAAAAAAAA AA==
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