(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate

C17H18Cl2N2O2 — CID 2929651

IUPAC(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate
SMILESCCC1CCCCN1C(=O)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C17H18Cl2N2O2/c1-2-11-6-3-4-9-21(11)17(22)23-16-14(19)10-13(18)12-7-5-8-20-15(12)16/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyJISGYVJAGUQLFI-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.30
Rot. Bonds2

About (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate

(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate (PubChem CID 2929651) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate
PubChem CID2929651
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate
SMILESCCC1CCCCN1C(=O)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C17H18Cl2N2O2/c1-2-11-6-3-4-9-21(11)17(22)23-16-14(19)10-13(18)12-7-5-8-20-15(12)16/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyJISGYVJAGUQLFI-UHFFFAOYSA-N
XLogP5.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate 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

(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
CID 157384035
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 5063693
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
2-(2-ethylpiperidin-1-yl)-2-oxo-N-pyrimidin-2-ylacetamide
CID 108520691

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate (CID 2929651) is (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate is CCC1CCCCN1C(=O)Oc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate?
The InChIKey is JISGYVJAGUQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-11-6-3-4-9-21(11)17(22)23-16-14(19)10-13(18)12-7-5-8-20-15(12)16/h5,7-8,10-11H,2-4,6,9H2,1H3.
What are the key properties of (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate?
(5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate has a molecular weight of 353.25 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) 2-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 2929651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).