4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide

C18H18N4O2 — CID 17392331

IUPAC4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3ccccn3)cnc12
InChIInChI=1S/C18H18N4O2/c1-13-6-4-7-14-17(13)20-12-22(18(14)24)11-5-9-16(23)21-15-8-2-3-10-19-15/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21,23)
InChIKeyCKJLCVCXUPNZOO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.52
Rot. Bonds5

About 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide

4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide (PubChem CID 17392331) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
PubChem CID17392331
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3ccccn3)cnc12
InChIInChI=1S/C18H18N4O2/c1-13-6-4-7-14-17(13)20-12-22(18(14)24)11-5-9-16(23)21-15-8-2-3-10-19-15/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21,23)
InChIKeyCKJLCVCXUPNZOO-UHFFFAOYSA-N
XLogP2.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate
CID 24555893
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51264702
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide (CID 17392331) is 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide is Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccn3)cnc12.
What is the InChIKey of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is CKJLCVCXUPNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-6-4-7-14-17(13)20-12-22(18(14)24)11-5-9-16(23)21-15-8-2-3-10-19-15/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21,23).
What are the key properties of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide?
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 322.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 17392331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).