6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile

C17H18ClN3O — CID 133426490

IUPAC6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCCC2CCO)nc2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN3O/c18-13-4-5-16-15(10-13)12(11-19)9-17(20-16)21-7-2-1-3-14(21)6-8-22/h4-5,9-10,14,22H,1-3,6-8H2
InChIKeyNYHDULSZYSKTEH-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.50
Rot. Bonds3

About 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile

6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 133426490) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID133426490
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCCC2CCO)nc2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN3O/c18-13-4-5-16-15(10-13)12(11-19)9-17(20-16)21-7-2-1-3-14(21)6-8-22/h4-5,9-10,14,22H,1-3,6-8H2
InChIKeyNYHDULSZYSKTEH-UHFFFAOYSA-N
XLogP3.50
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile 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 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile (CID 133426490) is 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCCCC2CCO)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is NYHDULSZYSKTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-13-4-5-16-15(10-13)12(11-19)9-17(20-16)21-7-2-1-3-14(21)6-8-22/h4-5,9-10,14,22H,1-3,6-8H2.
What are the key properties of 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile?
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 315.80 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 133426490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).