N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide

C23H23N3O2 — CID 156633574

IUPACN-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCC(=O)CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2/c1-16-6-8-17(9-7-16)15-24-23(28)20-14-22(26-12-10-18(27)11-13-26)25-21-5-3-2-4-19(20)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
InChIKeyJOCQLMXYGVMTDE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide

N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 156633574) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
PubChem CID156633574
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCC(=O)CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O2/c1-16-6-8-17(9-7-16)15-24-23(28)20-14-22(26-12-10-18(27)11-13-26)25-21-5-3-2-4-19(20)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
InChIKeyJOCQLMXYGVMTDE-UHFFFAOYSA-N
XLogP3.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
CID 46349736
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
CID 117089242
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46090825
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide (CID 156633574) is N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide is Cc1ccc(CNC(=O)c2cc(N3CCC(=O)CC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is JOCQLMXYGVMTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-6-8-17(9-7-16)15-24-23(28)20-14-22(26-12-10-18(27)11-13-26)25-21-5-3-2-4-19(20)21/h2-9,14H,10-13,15H2,1H3,(H,24,28).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide?
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 156633574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).