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

C22H20ClN3O2 — CID 2419250

IUPAC1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-7-3-1-6-16(18)20-13-17(15-5-2-4-8-19(15)25-20)22(28)26-11-9-14(10-12-26)21(24)27/h1-8,13-14H,9-12H2,(H2,24,27)
InChIKeyYOXBEFQDYADLIN-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.89
Rot. Bonds3

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

1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (PubChem CID 2419250) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
PubChem CID2419250
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-7-3-1-6-16(18)20-13-17(15-5-2-4-8-19(15)25-20)22(28)26-11-9-14(10-12-26)21(24)27/h1-8,13-14H,9-12H2,(H2,24,27)
InChIKeyYOXBEFQDYADLIN-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide (CID 2419250) is 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is YOXBEFQDYADLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-18-7-3-1-6-16(18)20-13-17(15-5-2-4-8-19(15)25-20)22(28)26-11-9-14(10-12-26)21(24)27/h1-8,13-14H,9-12H2,(H2,24,27).
What are the key properties of 1-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide?
1-[2-(2-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-(2-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 2419250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).