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

C19H18N4O3 — CID 51254626

IUPACN-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C19H18N4O3/c1-13(24)21-14-5-4-6-15(11-14)22-19(26)9-10-23-17-8-3-2-7-16(17)18(25)12-20-23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,26)
InChIKeyNBRWRCULGMIIQQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.38
Rot. Bonds5

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

N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51254626) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51254626
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C19H18N4O3/c1-13(24)21-14-5-4-6-15(11-14)22-19(26)9-10-23-17-8-3-2-7-16(17)18(25)12-20-23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,26)
InChIKeyNBRWRCULGMIIQQ-UHFFFAOYSA-N
XLogP2.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991229
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
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-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 51254626) is N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is NBRWRCULGMIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(24)21-14-5-4-6-15(11-14)22-19(26)9-10-23-17-8-3-2-7-16(17)18(25)12-20-23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 350.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51254626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).