(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol

C18H16ClNO3 — CID 86639113

IUPAC(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C18H16ClNO3/c1-22-14-8-5-9-15(23-2)16(14)17(21)12-10-11-6-3-4-7-13(11)20-18(12)19/h3-10,17,21H,1-2H3
InChIKeyMWNIYLFQZVHDJB-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.99
Rot. Bonds4

About (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol

(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 86639113) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol
PubChem CID86639113
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C18H16ClNO3/c1-22-14-8-5-9-15(23-2)16(14)17(21)12-10-11-6-3-4-7-13(11)20-18(12)19/h3-10,17,21H,1-2H3
InChIKeyMWNIYLFQZVHDJB-UHFFFAOYSA-N
XLogP3.99
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol 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 (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol (CID 86639113) is (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is MWNIYLFQZVHDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-22-14-8-5-9-15(23-2)16(14)17(21)12-10-11-6-3-4-7-13(11)20-18(12)19/h3-10,17,21H,1-2H3.
What are the key properties of (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol?
(2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 329.78 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 86639113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).