1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide

C22H20ClN3O2 — CID 2094903

IUPAC1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C22H20ClN3O2/c23-16-7-5-14(6-8-16)20-13-18(17-3-1-2-4-19(17)25-20)22(28)26-11-9-15(10-12-26)21(24)27/h1-8,13,15H,9-12H2,(H2,24,27)
InChIKeyQSLUJMIXFUPCRE-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.89
Rot. Bonds3

About 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide

1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (PubChem CID 2094903) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
PubChem CID2094903
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C22H20ClN3O2/c23-16-7-5-14(6-8-16)20-13-18(17-3-1-2-4-19(17)25-20)22(28)26-11-9-15(10-12-26)21(24)27/h1-8,13,15H,9-12H2,(H2,24,27)
InChIKeyQSLUJMIXFUPCRE-UHFFFAOYSA-N
XLogP3.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (CID 2094903) is 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is QSLUJMIXFUPCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-16-7-5-14(6-8-16)20-13-18(17-3-1-2-4-19(17)25-20)22(28)26-11-9-15(10-12-26)21(24)27/h1-8,13,15H,9-12H2,(H2,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 2094903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).