4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide

C21H14ClN3O2 — CID 135995875

IUPAC4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)21(27)25-19/h1-12H,(H,24,26)(H,23,25,27)
InChIKeyNIAFPXXAOVBRSL-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide

4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide (PubChem CID 135995875) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
PubChem CID135995875
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)21(27)25-19/h1-12H,(H,24,26)(H,23,25,27)
InChIKeyNIAFPXXAOVBRSL-UHFFFAOYSA-N
XLogP4.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135794633
4-nitro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 136739934
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
CID 59483498
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide
CID 135794634
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide (CID 135995875) is 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The InChIKey is NIAFPXXAOVBRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)21(27)25-19/h1-12H,(H,24,26)(H,23,25,27).
What are the key properties of 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide has a molecular weight of 375.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 135995875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).