(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C28H16Cl3F3N2O — CID 90101573

IUPAC(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)nc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C28H16Cl3F3N2O/c29-20-8-4-7-17(13-20)27(37,19-10-12-23(35-15-19)28(32,33)34)18-9-11-22-21(14-18)25(30)24(26(31)36-22)16-5-2-1-3-6-16/h1-15,37H
InChIKeyPJSOWUHYHVFXQK-UHFFFAOYSA-N
MW559.80 g/mol
LogP8.56
Rot. Bonds4

About (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 90101573) has the molecular formula C28H16Cl3F3N2O and a molecular weight of 559.80 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID90101573
Molecular FormulaC28H16Cl3F3N2O
Molecular Weight559.80 g/mol
Exact Mass558.03
IUPAC Name(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)nc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C28H16Cl3F3N2O/c29-20-8-4-7-17(13-20)27(37,19-10-12-23(35-15-19)28(32,33)34)18-9-11-22-21(14-18)25(30)24(26(31)36-22)16-5-2-1-3-6-16/h1-15,37H
InChIKeyPJSOWUHYHVFXQK-UHFFFAOYSA-N
XLogP8.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.80
LogP ≤ 58.56
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-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-(6-Isopropylquinolin-8-yl)phenyl)-2-methyl-3-(pyridin-4-yl)butan-2-ol
CID 20814950
(2,4-Dichloro-3-phenylquinolin-6-yl)-phenyl-pyridin-3-ylmethanol
CID 117869774
2-[4-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]phenyl]propan-2-ol
CID 126532592
2-[2-(3,5-Dichlorophenyl)-3-pyridinyl]-1,1-dipyridin-3-ylethanol
CID 137656105
(2,4-Dichloro-3-phenylquinolin-6-yl)-phenyl-pyridin-4-ylmethanol
CID 117868837
(3-Chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol
CID 74220545
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(pyridin-3-yl)methanol
CID 74220747
[2,4-Dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol
CID 74220748
(3-(4-(1H-Pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(3-fluorophenyl)(pyridin-3-yl)methanol
CID 74220811
(3-Benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 74220813
(3-Chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
CID 74221197
(3-Chlorophenyl)-[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-ylmethanol
CID 74221198

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 90101573) is (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(C(F)(F)F)nc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is PJSOWUHYHVFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl3F3N2O/c29-20-8-4-7-17(13-20)27(37,19-10-12-23(35-15-19)28(32,33)34)18-9-11-22-21(14-18)25(30)24(26(31)36-22)16-5-2-1-3-6-16/h1-15,37H.
What are the key properties of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 559.80 g/mol, XLogP of 8.56, 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-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 90101573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).