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100448-60-0 | Benzoic acid, 4-[(3,4-dihydro-4-oxo-2-quinazolinyl)amino]-
CAS No: 100448-60-0 Catalog No: AG000201 MDL No:
Product Description
Catalog Number:
AG000201
Chemical Name:
Benzoic acid, 4-[(3,4-dihydro-4-oxo-2-quinazolinyl)amino]-
CAS Number:
100448-60-0
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
4-[(4-oxo-3H-quinazolin-2-yl)amino]benzoic acid
InChI:
InChI=1S/C15H11N3O3/c19-13-11-3-1-2-4-12(11)17-15(18-13)16-10-7-5-9(6-8-10)14(20)21/h1-8H,(H,20,21)(H2,16,17,18,19)
InChI Key:
SQDQNBXZIYFOPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Nc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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