2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide

C19H25N3O — CID 166181784

IUPAC2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-14-7-10-22(11-8-14)12-9-20-19(23)17-13-15(2)21-18-6-4-3-5-16(17)18/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyPNRKQDIQOKRLRL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide

2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide (PubChem CID 166181784) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
PubChem CID166181784
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O/c1-14-7-10-22(11-8-14)12-9-20-19(23)17-13-15(2)21-18-6-4-3-5-16(17)18/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyPNRKQDIQOKRLRL-UHFFFAOYSA-N
XLogP3.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
CID 5084896
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
CID 51091181
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
2-(5-methylthiophen-2-yl)-N-[2-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4083806
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide (CID 166181784) is 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is PNRKQDIQOKRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-7-10-22(11-8-14)12-9-20-19(23)17-13-15(2)21-18-6-4-3-5-16(17)18/h3-6,13-14H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide?
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 166181784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).