3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide

C21H16N4O2 — CID 23881942

IUPAC3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H16N4O2/c1-14-5-4-6-16(13-14)20(26)24-25-19(15-9-11-22-12-10-15)23-18-8-3-2-7-17(18)21(25)27/h2-13H,1H3,(H,24,26)
InChIKeySMJWVNUDTFCQKT-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.15
Rot. Bonds3

About 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide

3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide (PubChem CID 23881942) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
PubChem CID23881942
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
SMILESCc1cccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H16N4O2/c1-14-5-4-6-16(13-14)20(26)24-25-19(15-9-11-22-12-10-15)23-18-8-3-2-7-17(18)21(25)27/h2-13H,1H3,(H,24,26)
InChIKeySMJWVNUDTFCQKT-UHFFFAOYSA-N
XLogP3.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
4-bromo-N-[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23968802
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
CID 118737680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide (CID 23881942) is 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide is Cc1cccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
The InChIKey is SMJWVNUDTFCQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-5-4-6-16(13-14)20(26)24-25-19(15-9-11-22-12-10-15)23-18-8-3-2-7-17(18)21(25)27/h2-13H,1H3,(H,24,26).
What are the key properties of 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide?
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide is sourced from PubChem (CID 23881942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).