(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C17H19ClN2O — CID 63376375

IUPAC(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C17H19ClN2O/c1-11-7-12(2)10-20(9-11)17(21)16-8-14(18)13-5-3-4-6-15(13)19-16/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyJZCZWBSQNUJUCA-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.01
Rot. Bonds1

About (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 63376375) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID63376375
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C17H19ClN2O/c1-11-7-12(2)10-20(9-11)17(21)16-8-14(18)13-5-3-4-6-15(13)19-16/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyJZCZWBSQNUJUCA-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
CID 63841179
4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114545564
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065

Frequently Asked Questions

What is the IUPAC name of (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 63376375) is (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc(Cl)c3ccccc3n2)C1.
What is the InChIKey of (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is JZCZWBSQNUJUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-7-12(2)10-20(9-11)17(21)16-8-14(18)13-5-3-4-6-15(13)19-16/h3-6,8,11-12H,7,9-10H2,1-2H3.
What are the key properties of (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 302.80 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63376375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).