ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate

C18H21ClN2O2 — CID 27269601

IUPACethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H21ClN2O2/c1-3-23-18(22)13-6-8-21(9-7-13)17-10-12(2)15-11-14(19)4-5-16(15)20-17/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyWQOHBWXGRWEJFD-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.98
Rot. Bonds3

About ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate

ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate (PubChem CID 27269601) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate
PubChem CID27269601
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Nameethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H21ClN2O2/c1-3-23-18(22)13-6-8-21(9-7-13)17-10-12(2)15-11-14(19)4-5-16(15)20-17/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyWQOHBWXGRWEJFD-UHFFFAOYSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate (CID 27269601) is ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate?
The InChIKey is WQOHBWXGRWEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-23-18(22)13-6-8-21(9-7-13)17-10-12(2)15-11-14(19)4-5-16(15)20-17/h4-5,10-11,13H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate?
ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate has a molecular weight of 332.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloro-4-methylquinolin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 27269601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).