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

C21H14ClN3O2 — CID 164517199

IUPAC4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-15-9-5-14(6-10-15)20(26)23-16-11-7-13(8-12-16)19-24-18-4-2-1-3-17(18)21(27)25-19/h1-12H,(H,23,26)(H,24,25,27)
InChIKeyZMGCURBWDWWYCQ-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.50
Rot. Bonds3

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

4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide (PubChem CID 164517199) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
PubChem CID164517199
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O2/c22-15-9-5-14(6-10-15)20(26)23-16-11-7-13(8-12-16)19-24-18-4-2-1-3-17(18)21(27)25-19/h1-12H,(H,23,26)(H,24,25,27)
InChIKeyZMGCURBWDWWYCQ-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-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875
3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137425221
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
CID 136847891
4-hydrazinyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135794633
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide (CID 164517199) is 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
The InChIKey is ZMGCURBWDWWYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-15-9-5-14(6-10-15)20(26)23-16-11-7-13(8-12-16)19-24-18-4-2-1-3-17(18)21(27)25-19/h1-12H,(H,23,26)(H,24,25,27).
What are the key properties of 4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide?
4-chloro-N-[4-(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-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 164517199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).