2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C21H23N3O2 — CID 17494934

IUPAC2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C21H23N3O2/c25-20-14-18(17-6-2-3-7-19(17)23-20)21(26)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18H,1,4-5,12-14H2,(H,22,26)(H,23,25)
InChIKeyGCNQUVJGSXEOSF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.74
Rot. Bonds3

About 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 17494934) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID17494934
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C21H23N3O2/c25-20-14-18(17-6-2-3-7-19(17)23-20)21(26)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18H,1,4-5,12-14H2,(H,22,26)(H,23,25)
InChIKeyGCNQUVJGSXEOSF-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229415
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 87025928
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 17494934) is 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2N1.
What is the InChIKey of 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GCNQUVJGSXEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-14-18(17-6-2-3-7-19(17)23-20)21(26)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18H,1,4-5,12-14H2,(H,22,26)(H,23,25).
What are the key properties of 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17494934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).