(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol

C24H19Cl3N2O — CID 118022497

IUPAC(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol
SMILESCC(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl
InChIInChI=1S/C24H19Cl3N2O/c1-14(2)21-22(26)19-12-16(8-9-20(19)29-23(21)27)24(30,17-6-4-10-28-13-17)15-5-3-7-18(25)11-15/h3-14,30H,1-2H3
InChIKeyRCZLGRMBRSAZSB-UHFFFAOYSA-N
MW457.79 g/mol
LogP7.00
Rot. Bonds4

About (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol

(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol (PubChem CID 118022497) has the molecular formula C24H19Cl3N2O and a molecular weight of 457.79 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol
PubChem CID118022497
Molecular FormulaC24H19Cl3N2O
Molecular Weight457.79 g/mol
Exact Mass456.06
IUPAC Name(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol
SMILESCC(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl
InChIInChI=1S/C24H19Cl3N2O/c1-14(2)21-22(26)19-12-16(8-9-20(19)29-23(21)27)24(30,17-6-4-10-28-13-17)15-5-3-7-18(25)11-15/h3-14,30H,1-2H3
InChIKeyRCZLGRMBRSAZSB-UHFFFAOYSA-N
XLogP7.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol 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 (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol?
The IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol (CID 118022497) is (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol is CC(C)c1c(Cl)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1Cl.
What is the InChIKey of (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol?
The InChIKey is RCZLGRMBRSAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N2O/c1-14(2)21-22(26)19-12-16(8-9-20(19)29-23(21)27)24(30,17-6-4-10-28-13-17)15-5-3-7-18(25)11-15/h3-14,30H,1-2H3.
What are the key properties of (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol?
(3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol has a molecular weight of 457.79 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,4-dichloro-3-propan-2-ylquinolin-6-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 118022497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).