3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide

C15H12N4O2 — CID 175916852

IUPAC3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N4O2/c16-13(20)9-4-3-5-10(8-9)17-15-18-12-7-2-1-6-11(12)14(21)19-15/h1-8H,(H2,16,20)(H2,17,18,19,21)
InChIKeyIHLPVSNOECCUCC-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.77
Rot. Bonds3

About 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide

3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide (PubChem CID 175916852) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
PubChem CID175916852
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N4O2/c16-13(20)9-4-3-5-10(8-9)17-15-18-12-7-2-1-6-11(12)14(21)19-15/h1-8H,(H2,16,20)(H2,17,18,19,21)
InChIKeyIHLPVSNOECCUCC-UHFFFAOYSA-N
XLogP1.77
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
CID 175916850
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 175734132
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781512
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The IUPAC name of 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide (CID 175916852) is 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The canonical SMILES for 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
The InChIKey is IHLPVSNOECCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-13(20)9-4-3-5-10(8-9)17-15-18-12-7-2-1-6-11(12)14(21)19-15/h1-8H,(H2,16,20)(H2,17,18,19,21).
What are the key properties of 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide?
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 175916852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).