(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone

C17H20N2O — CID 50765986

IUPAC(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)c2cccc(C)c2n1
InChIInChI=1S/C17H20N2O/c1-12-7-6-8-14-15(11-13(2)18-16(12)14)17(20)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyLXAALWGYYFOILJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.48
Rot. Bonds1

About (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone (PubChem CID 50765986) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
PubChem CID50765986
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)c2cccc(C)c2n1
InChIInChI=1S/C17H20N2O/c1-12-7-6-8-14-15(11-13(2)18-16(12)14)17(20)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyLXAALWGYYFOILJ-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330795
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
(1S,5R)-3-(2,8-dimethylquinoline-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749102

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone (CID 50765986) is (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)c2cccc(C)c2n1.
What is the InChIKey of (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is LXAALWGYYFOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-6-8-14-15(11-13(2)18-16(12)14)17(20)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone?
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 50765986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).