2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide

C15H12N4O3 — CID 4906968

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1
InChIInChI=1S/C15H12N4O3/c20-13(17-10-4-3-7-16-8-10)9-19-14(21)11-5-1-2-6-12(11)18-15(19)22/h1-8H,9H2,(H,17,20)(H,18,22)
InChIKeyHYRQZFXKSGBIMY-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.72
Rot. Bonds3

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 4906968) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
PubChem CID4906968
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1
InChIInChI=1S/C15H12N4O3/c20-13(17-10-4-3-7-16-8-10)9-19-14(21)11-5-1-2-6-12(11)18-15(19)22/h1-8H,9H2,(H,17,20)(H,18,22)
InChIKeyHYRQZFXKSGBIMY-UHFFFAOYSA-N
XLogP0.72
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 86843479
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide
CID 166828786
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]acetamide
CID 175683951
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide (CID 4906968) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccnc1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is HYRQZFXKSGBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-13(17-10-4-3-7-16-8-10)9-19-14(21)11-5-1-2-6-12(11)18-15(19)22/h1-8H,9H2,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 296.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 4906968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).