(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride

C16H19ClN2O2 — CID 90678840

IUPAC(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride
SMILESCN1CCC(OC(=O)c2cnc3ccccc3c2)CC1.Cl
InChIInChI=1S/C16H18N2O2.ClH/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13;/h2-5,10-11,14H,6-9H2,1H3;1H
InChIKeyOJPLJRRYEDZXJL-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.91
Rot. Bonds2

About (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride

(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride (PubChem CID 90678840) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride
PubChem CID90678840
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride
SMILESCN1CCC(OC(=O)c2cnc3ccccc3c2)CC1.Cl
InChIInChI=1S/C16H18N2O2.ClH/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13;/h2-5,10-11,14H,6-9H2,1H3;1H
InChIKeyOJPLJRRYEDZXJL-UHFFFAOYSA-N
XLogP2.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride (CID 90678840) is (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride is CN1CCC(OC(=O)c2cnc3ccccc3c2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride?
The InChIKey is OJPLJRRYEDZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.ClH/c1-18-8-6-14(7-9-18)20-16(19)13-10-12-4-2-3-5-15(12)17-11-13;/h2-5,10-11,14H,6-9H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride?
(1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 90678840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).