1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide

C22H22ClN3O — CID 70458495

IUPAC1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc2c(N3CCC(C(N)=O)CC3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H22ClN3O/c1-14-3-2-4-18-20(26-11-9-16(10-12-26)22(24)27)13-19(25-21(14)18)15-5-7-17(23)8-6-15/h2-8,13,16H,9-12H2,1H3,(H2,24,27)
InChIKeyZMLQVQKSFKYVRF-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.57
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide

1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide (PubChem CID 70458495) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide
PubChem CID70458495
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc2c(N3CCC(C(N)=O)CC3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H22ClN3O/c1-14-3-2-4-18-20(26-11-9-16(10-12-26)22(24)27)13-19(25-21(14)18)15-5-7-17(23)8-6-15/h2-8,13,16H,9-12H2,1H3,(H2,24,27)
InChIKeyZMLQVQKSFKYVRF-UHFFFAOYSA-N
XLogP4.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide (CID 70458495) is 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide is Cc1cccc2c(N3CCC(C(N)=O)CC3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZMLQVQKSFKYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-14-3-2-4-18-20(26-11-9-16(10-12-26)22(24)27)13-19(25-21(14)18)15-5-7-17(23)8-6-15/h2-8,13,16H,9-12H2,1H3,(H2,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.57, 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)-8-methylquinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 70458495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).