N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide

C20H13ClN4O2 — CID 170732450

IUPACN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O)c1ccccn1
InChIInChI=1S/C20H13ClN4O2/c21-14-7-5-6-13(12-14)18-23-16-9-2-1-8-15(16)20(27)25(18)24-19(26)17-10-3-4-11-22-17/h1-12H,(H,24,26)
InChIKeyGYBKIHMBCUAFHK-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.50
Rot. Bonds3

About N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide

N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide (PubChem CID 170732450) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
PubChem CID170732450
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O)c1ccccn1
InChIInChI=1S/C20H13ClN4O2/c21-14-7-5-6-13(12-14)18-23-16-9-2-1-8-15(16)20(27)25(18)24-19(26)17-10-3-4-11-22-17/h1-12H,(H,24,26)
InChIKeyGYBKIHMBCUAFHK-UHFFFAOYSA-N
XLogP3.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridazine-3-carboxamide
CID 170732461
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]furan-2-carboxamide
CID 170732422
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
CID 23791833
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
N-(3-chlorophenyl)-2-[(4-oxo-2-phenylquinazolin-3-yl)amino]acetamide
CID 10386527
2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 24750157
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide (CID 170732450) is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide is O=C(Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O)c1ccccn1.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide?
The InChIKey is GYBKIHMBCUAFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c21-14-7-5-6-13(12-14)18-23-16-9-2-1-8-15(16)20(27)25(18)24-19(26)17-10-3-4-11-22-17/h1-12H,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide has a molecular weight of 376.80 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).