3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide

C14H17N3O2 — CID 47123641

IUPAC3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-10(2)16-14(19)7-8-17-12-6-4-3-5-11(12)13(18)9-15-17/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyYQOQSEBRJMIRTM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.31
Rot. Bonds4

About 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 47123641) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
PubChem CID47123641
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O2/c1-10(2)16-14(19)7-8-17-12-6-4-3-5-11(12)13(18)9-15-17/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyYQOQSEBRJMIRTM-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide (CID 47123641) is 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is YQOQSEBRJMIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)16-14(19)7-8-17-12-6-4-3-5-11(12)13(18)9-15-17/h3-6,9-10H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide?
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 47123641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).