[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C27H17ClF6N4O — CID 86716145

IUPAC[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C27H17ClF6N4O/c1-38-14-35-13-21(38)25(39,17-8-10-20(36-12-17)26(29,30)31)16-7-9-19-18(11-16)23(28)22(15-5-3-2-4-6-15)24(37-19)27(32,33)34/h2-14,39H,1H3
InChIKeyWENBZXKRFJQLJT-UHFFFAOYSA-N
MW562.90 g/mol
LogP7.01
Rot. Bonds4

About [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 86716145) has the molecular formula C27H17ClF6N4O and a molecular weight of 562.90 g/mol. Its IUPAC name is [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID86716145
Molecular FormulaC27H17ClF6N4O
Molecular Weight562.90 g/mol
Exact Mass562.10
IUPAC Name[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C27H17ClF6N4O/c1-38-14-35-13-21(38)25(39,17-8-10-20(36-12-17)26(29,30)31)16-7-9-19-18(11-16)23(28)22(15-5-3-2-4-6-15)24(37-19)27(32,33)34/h2-14,39H,1H3
InChIKeyWENBZXKRFJQLJT-UHFFFAOYSA-N
XLogP7.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.90
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 86716145) is [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is WENBZXKRFJQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClF6N4O/c1-38-14-35-13-21(38)25(39,17-8-10-20(36-12-17)26(29,30)31)16-7-9-19-18(11-16)23(28)22(15-5-3-2-4-6-15)24(37-19)27(32,33)34/h2-14,39H,1H3.
What are the key properties of [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 562.90 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 86716145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).