N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide

C31H32ClN3O — CID 17372353

IUPACN-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C31H32ClN3O/c1-3-22-9-11-24(12-10-22)29-19-27(26-13-14-28(32)21(2)30(26)34-29)31(36)33-25-15-17-35(18-16-25)20-23-7-5-4-6-8-23/h4-14,19,25H,3,15-18,20H2,1-2H3,(H,33,36)
InChIKeyCTMLPBXVIPLDRA-UHFFFAOYSA-N
MW498.07 g/mol
LogP6.82
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide

N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide (PubChem CID 17372353) has the molecular formula C31H32ClN3O and a molecular weight of 498.07 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
PubChem CID17372353
Molecular FormulaC31H32ClN3O
Molecular Weight498.07 g/mol
Exact Mass497.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C31H32ClN3O/c1-3-22-9-11-24(12-10-22)29-19-27(26-13-14-28(32)21(2)30(26)34-29)31(36)33-25-15-17-35(18-16-25)20-23-7-5-4-6-8-23/h4-14,19,25H,3,15-18,20H2,1-2H3,(H,33,36)
InChIKeyCTMLPBXVIPLDRA-UHFFFAOYSA-N
XLogP6.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.07
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 17372831
7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 7248332
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide (CID 17372353) is N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide?
The InChIKey is CTMLPBXVIPLDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O/c1-3-22-9-11-24(12-10-22)29-19-27(26-13-14-28(32)21(2)30(26)34-29)31(36)33-25-15-17-35(18-16-25)20-23-7-5-4-6-8-23/h4-14,19,25H,3,15-18,20H2,1-2H3,(H,33,36).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide has a molecular weight of 498.07 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide is sourced from PubChem (CID 17372353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).