1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide

C17H14N4O3 — CID 167891274

IUPAC1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH]cnc12)c1ccc(=O)n(C2CC2)c1
InChIInChI=1S/C17H14N4O3/c22-14-7-4-10(8-21(14)11-5-6-11)16(23)20-13-3-1-2-12-15(13)18-9-19-17(12)24/h1-4,7-9,11H,5-6H2,(H,20,23)(H,18,19,24)
InChIKeyJMBDABPAIZMPMA-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.67
Rot. Bonds3

About 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide

1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide (PubChem CID 167891274) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide
PubChem CID167891274
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH]cnc12)c1ccc(=O)n(C2CC2)c1
InChIInChI=1S/C17H14N4O3/c22-14-7-4-10(8-21(14)11-5-6-11)16(23)20-13-3-1-2-12-15(13)18-9-19-17(12)24/h1-4,7-9,11H,5-6H2,(H,20,23)(H,18,19,24)
InChIKeyJMBDABPAIZMPMA-UHFFFAOYSA-N
XLogP1.67
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-oxo-3H-quinazolin-8-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 167965755
8-(pyridin-2-ylsulfanylamino)-3H-quinazolin-4-one
CID 164876853
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
1-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166241183
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
CID 141277541
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 166391502
3-(difluoromethyl)-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]benzamide
CID 167844255
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide (CID 167891274) is 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide is O=C(Nc1cccc2c(=O)[nH]cnc12)c1ccc(=O)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide?
The InChIKey is JMBDABPAIZMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-14-7-4-10(8-21(14)11-5-6-11)16(23)20-13-3-1-2-12-15(13)18-9-19-17(12)24/h1-4,7-9,11H,5-6H2,(H,20,23)(H,18,19,24).
What are the key properties of 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide?
1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-N-(4-oxo-3H-quinazolin-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).