2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone

C17H20N2O — CID 110848885

IUPAC2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone
SMILESCc1cc2ccccc2nc1CC(=O)N1CCCCC1
InChIInChI=1S/C17H20N2O/c1-13-11-14-7-3-4-8-15(14)18-16(13)12-17(20)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyGYSRVFQBNSRJCZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds2

About 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone

2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone (PubChem CID 110848885) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone
PubChem CID110848885
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone
SMILESCc1cc2ccccc2nc1CC(=O)N1CCCCC1
InChIInChI=1S/C17H20N2O/c1-13-11-14-7-3-4-8-15(14)18-16(13)12-17(20)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyGYSRVFQBNSRJCZ-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854935
2-(3-methylquinoxalin-2-yl)-1-morpholin-4-ylethanone
CID 3667314
2-(4-bromo-2-methylphenyl)-1-piperidin-1-ylethanone
CID 166638846
2-(3-methylquinolin-2-yl)ethanol
CID 154179956
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
CID 110644995
1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6461182
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone (CID 110848885) is 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone is Cc1cc2ccccc2nc1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is GYSRVFQBNSRJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-11-14-7-3-4-8-15(14)18-16(13)12-17(20)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3.
What are the key properties of 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone?
2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110848885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).