4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide

C20H20N2O2 — CID 24939140

IUPAC4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCCCc2ccccc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-14-16-11-5-6-12-17(16)22-20(24)18(14)19(23)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyZPVPZNKPRNQXOK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide

4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide (PubChem CID 24939140) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
PubChem CID24939140
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCCCc2ccccc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-14-16-11-5-6-12-17(16)22-20(24)18(14)19(23)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyZPVPZNKPRNQXOK-UHFFFAOYSA-N
XLogP3.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 71862176
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734355
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
CID 119362374
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide (CID 24939140) is 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCCCc2ccccc2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The InChIKey is ZPVPZNKPRNQXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-16-11-5-6-12-17(16)22-20(24)18(14)19(23)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24939140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).