N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide

C24H27N3O — CID 53036018

IUPACN-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C24H27N3O/c1-3-18-8-10-19(11-9-18)25-24(28)22-16-23(27-13-5-4-6-14-27)20-15-17(2)7-12-21(20)26-22/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28)
InChIKeyLZYRBOIJNCXIPI-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.35
Rot. Bonds4

About N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide

N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide (PubChem CID 53036018) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
PubChem CID53036018
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C24H27N3O/c1-3-18-8-10-19(11-9-18)25-24(28)22-16-23(27-13-5-4-6-14-27)20-15-17(2)7-12-21(20)26-22/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28)
InChIKeyLZYRBOIJNCXIPI-UHFFFAOYSA-N
XLogP5.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020840
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
CID 118569665
6-methyl-2,4-di(piperidin-1-yl)quinoline
CID 14338122
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325780
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide (CID 53036018) is N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide is CCc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
The InChIKey is LZYRBOIJNCXIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-18-8-10-19(11-9-18)25-24(28)22-16-23(27-13-5-4-6-14-27)20-15-17(2)7-12-21(20)26-22/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide?
N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide is sourced from PubChem (CID 53036018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).