4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile

C16H9ClN2O — CID 66980076

IUPAC4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1
InChIInChI=1S/C16H9ClN2O/c17-14-8-16(11-3-1-10(9-18)2-4-11)19-15-6-5-12(20)7-13(14)15/h1-8,20H
InChIKeyWDAAJGGJITXKSG-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.13
Rot. Bonds1

About 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile

4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile (PubChem CID 66980076) has the molecular formula C16H9ClN2O and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile
PubChem CID66980076
Molecular FormulaC16H9ClN2O
Molecular Weight280.71 g/mol
Exact Mass280.04
IUPAC Name4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1
InChIInChI=1S/C16H9ClN2O/c17-14-8-16(11-3-1-10(9-18)2-4-11)19-15-6-5-12(20)7-13(14)15/h1-8,20H
InChIKeyWDAAJGGJITXKSG-UHFFFAOYSA-N
XLogP4.13
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile 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 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile?
The IUPAC name of 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile (CID 66980076) is 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile.
What is the SMILES notation for 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile?
The canonical SMILES for 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile is N#Cc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1.
What is the InChIKey of 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile?
The InChIKey is WDAAJGGJITXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O/c17-14-8-16(11-3-1-10(9-18)2-4-11)19-15-6-5-12(20)7-13(14)15/h1-8,20H.
What are the key properties of 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile?
4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile has a molecular weight of 280.71 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-hydroxyquinolin-2-yl)benzonitrile is sourced from PubChem (CID 66980076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).