N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide

C24H27N3O — CID 91232917

IUPACN-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCC(C)CC2)nc2ccccc12
InChIInChI=1S/C24H27N3O/c1-3-18-8-4-6-10-21(18)26-24(28)20-16-23(27-14-12-17(2)13-15-27)25-22-11-7-5-9-19(20)22/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,28)
InChIKeyKVMIJUSVSMPIBA-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds4

About N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide

N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 91232917) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID91232917
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCC(C)CC2)nc2ccccc12
InChIInChI=1S/C24H27N3O/c1-3-18-8-4-6-10-21(18)26-24(28)20-16-23(27-14-12-17(2)13-15-27)25-22-11-7-5-9-19(20)22/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,28)
InChIKeyKVMIJUSVSMPIBA-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-azabicyclo[3.2.2]nonan-3-yl]-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 90817438
4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 86707366
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
CID 92772448
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
CID 63625591
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide (CID 91232917) is N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide is CCc1ccccc1NC(=O)c1cc(N2CCC(C)CC2)nc2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is KVMIJUSVSMPIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-18-8-4-6-10-21(18)26-24(28)20-16-23(27-14-12-17(2)13-15-27)25-22-11-7-5-9-19(20)22/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide?
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 91232917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).