2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide

C27H25ClN4O — CID 55858725

IUPAC2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C27H25ClN4O/c28-20-10-8-19(9-11-20)26-17-24(23-6-1-2-7-25(23)31-26)27(33)30-21-12-15-32(16-13-21)18-22-5-3-4-14-29-22/h1-11,14,17,21H,12-13,15-16,18H2,(H,30,33)
InChIKeyXBSQWXWLTPZQDC-UHFFFAOYSA-N
MW456.98 g/mol
LogP5.34
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide (PubChem CID 55858725) has the molecular formula C27H25ClN4O and a molecular weight of 456.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
PubChem CID55858725
Molecular FormulaC27H25ClN4O
Molecular Weight456.98 g/mol
Exact Mass456.17
IUPAC Name2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C27H25ClN4O/c28-20-10-8-19(9-11-20)26-17-24(23-6-1-2-7-25(23)31-26)27(33)30-21-12-15-32(16-13-21)18-22-5-3-4-14-29-22/h1-11,14,17,21H,12-13,15-16,18H2,(H,30,33)
InChIKeyXBSQWXWLTPZQDC-UHFFFAOYSA-N
XLogP5.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 46539989
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide (CID 55858725) is 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide?
The InChIKey is XBSQWXWLTPZQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O/c28-20-10-8-19(9-11-20)26-17-24(23-6-1-2-7-25(23)31-26)27(33)30-21-12-15-32(16-13-21)18-22-5-3-4-14-29-22/h1-11,14,17,21H,12-13,15-16,18H2,(H,30,33).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 55858725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).