[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol

C23H19ClN2O — CID 126593944

IUPAC[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol
SMILESCc1cc2nc(CO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H19ClN2O/c1-14-11-21-23(15(2)22(14)16-7-9-25-10-8-16)19(12-17(13-27)26-21)18-5-3-4-6-20(18)24/h3-12,27H,13H2,1-2H3
InChIKeyDKROGFMMZXQANQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.73
Rot. Bonds3

About [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol

[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol (PubChem CID 126593944) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol
PubChem CID126593944
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol
SMILESCc1cc2nc(CO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H19ClN2O/c1-14-11-21-23(15(2)22(14)16-7-9-25-10-8-16)19(12-17(13-27)26-21)18-5-3-4-6-20(18)24/h3-12,27H,13H2,1-2H3
InChIKeyDKROGFMMZXQANQ-UHFFFAOYSA-N
XLogP5.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]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 [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol?
The IUPAC name of [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol (CID 126593944) is [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol.
What is the SMILES notation for [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol?
The canonical SMILES for [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol is Cc1cc2nc(CO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol?
The InChIKey is DKROGFMMZXQANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-14-11-21-23(15(2)22(14)16-7-9-25-10-8-16)19(12-17(13-27)26-21)18-5-3-4-6-20(18)24/h3-12,27H,13H2,1-2H3.
What are the key properties of [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol?
[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol has a molecular weight of 374.87 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]methanol is sourced from PubChem (CID 126593944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).