Name: Name:2-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid
Brand: Angene
SKU: AG019KHP
Rating: 90 (10 reviews)

2-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid

CAS No.:

540495-74-7

Catalog Number:

AG019KHP

Molecular Formula:

C16H12N2O3

Molecular Weight:

280.2781

Catalog Number:

AG019KHP

Chemical Name:

2-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid

CAS Number:

540495-74-7

Molecular Formula:

C16H12N2O3

Molecular Weight:

280.2781

MDL Number:

MFCD03469138

IUPAC Name:

2-[(4-oxo-3H-quinazolin-2-yl)methyl]benzoic acid

InChI:

InChI=1S/C16H12N2O3/c19-15-12-7-3-4-8-13(12)17-14(18-15)9-10-5-1-2-6-11(10)16(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19)

InChI Key:

HYGGQEMOVYEUKG-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1Cc1nc2ccccc2c(=O)[nH]1

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.283g/mol

Monoisotopic Mass:

280.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8