N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide

C23H21N3O2 — CID 51254953

IUPACN-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-16(18-11-6-8-17-7-2-3-9-19(17)18)25-23(28)13-14-26-21-12-5-4-10-20(21)22(27)15-24-26/h2-12,15-16H,13-14H2,1H3,(H,25,28)
InChIKeyOIZHQZQDOFQESF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.82
Rot. Bonds5

About N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51254953) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51254953
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-16(18-11-6-8-17-7-2-3-9-19(17)18)25-23(28)13-14-26-21-12-5-4-10-20(21)22(27)15-24-26/h2-12,15-16H,13-14H2,1H3,(H,25,28)
InChIKeyOIZHQZQDOFQESF-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
CID 46662175
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9093214
N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
CID 86834839

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 51254953) is N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is OIZHQZQDOFQESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(18-11-6-8-17-7-2-3-9-19(17)18)25-23(28)13-14-26-21-12-5-4-10-20(21)22(27)15-24-26/h2-12,15-16H,13-14H2,1H3,(H,25,28).
What are the key properties of N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51254953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).