(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol

C31H21Cl3N4O — CID 74221197

IUPAC(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
InChIInChI=1S/C31H21Cl3N4O/c32-24-6-1-4-21(17-24)31(39,23-5-2-13-35-19-23)22-9-12-28-26(18-22)29(33)27(30(34)37-28)16-20-7-10-25(11-8-20)38-15-3-14-36-38/h1-15,17-19,39H,16H2
InChIKeyCLYKYJUSPRHKQB-UHFFFAOYSA-N
MW571.90 g/mol
LogP7.65
Rot. Bonds6

About (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol

(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol (PubChem CID 74221197) has the molecular formula C31H21Cl3N4O and a molecular weight of 571.90 g/mol. Its IUPAC name is (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
PubChem CID74221197
Molecular FormulaC31H21Cl3N4O
Molecular Weight571.90 g/mol
Exact Mass570.08
IUPAC Name(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
InChIInChI=1S/C31H21Cl3N4O/c32-24-6-1-4-21(17-24)31(39,23-5-2-13-35-19-23)22-9-12-28-26(18-22)29(33)27(30(34)37-28)16-20-7-10-25(11-8-20)38-15-3-14-36-38/h1-15,17-19,39H,16H2
InChIKeyCLYKYJUSPRHKQB-UHFFFAOYSA-N
XLogP7.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.90
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-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-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol?
The IUPAC name of (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol (CID 74221197) is (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.
What is the InChIKey of (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol?
The InChIKey is CLYKYJUSPRHKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Cl3N4O/c32-24-6-1-4-21(17-24)31(39,23-5-2-13-35-19-23)22-9-12-28-26(18-22)29(33)27(30(34)37-28)16-20-7-10-25(11-8-20)38-15-3-14-36-38/h1-15,17-19,39H,16H2.
What are the key properties of (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol?
(3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol has a molecular weight of 571.90 g/mol, XLogP of 7.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 74221197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).