N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

C19H17N3O3 — CID 18097698

IUPACN-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-6-8-15(9-7-14)21-19(25)10-11-22-17-5-3-2-4-16(17)18(24)12-20-22/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyYXDLTXZYEAOCAC-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.63
Rot. Bonds5

About N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 18097698) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID18097698
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-6-8-15(9-7-14)21-19(25)10-11-22-17-5-3-2-4-16(17)18(24)12-20-22/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyYXDLTXZYEAOCAC-UHFFFAOYSA-N
XLogP2.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 18097698) is N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is YXDLTXZYEAOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(23)14-6-8-15(9-7-14)21-19(25)10-11-22-17-5-3-2-4-16(17)18(24)12-20-22/h2-9,12H,10-11H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 335.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 18097698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).