8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

C34H20Cl2F6N2O2 — CID 159565850

IUPAC8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESO=Cc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F.OCc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H11ClF3NO.C17H9ClF3NO/c2*18-14-7-3-4-10-8-11(9-23)15(22-16(10)14)12-5-1-2-6-13(12)17(19,20)21/h1-8,23H,9H2;1-9H
InChIKeyMHELPCJTMZUTRP-UHFFFAOYSA-N
MW673.44 g/mol
LogP10.45
Rot. Bonds4

About 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (PubChem CID 159565850) has the molecular formula C34H20Cl2F6N2O2 and a molecular weight of 673.44 g/mol. Its IUPAC name is 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
PubChem CID159565850
Molecular FormulaC34H20Cl2F6N2O2
Molecular Weight673.44 g/mol
Exact Mass672.08
IUPAC Name8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESO=Cc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F.OCc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H11ClF3NO.C17H9ClF3NO/c2*18-14-7-3-4-10-8-11(9-23)15(22-16(10)14)12-5-1-2-6-13(12)17(19,20)21/h1-8,23H,9H2;1-9H
InChIKeyMHELPCJTMZUTRP-UHFFFAOYSA-N
XLogP10.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.44
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-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

Related Compounds

3-[2-Chloro-8-fluoro-3-(1-hydroxyethyl)quinolin-6-yl]-1-(2-chloro-8-fluoroquinolin-3-yl)propan-1-one
CID 154469249
8-Chloro-3-(chloromethyl)-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinoline;[8-chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 157356118
8-Chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde
CID 157587972
8-Chloro-3-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]quinoline;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 159252397
8-Chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 159957654
8-Chloro-2-[2-(trifluoromethoxy)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethoxy)phenyl]quinolin-3-yl]methanol
CID 160707270
3-(Chloromethyl)-8-methyl-2-[2-(trifluoromethyl)phenyl]quinoline;8-methyl-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 161231996
5-Chloro-2-(3-fluorophenyl)quinoline-3-carbaldehyde;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
CID 157078864
8-Chloro-2-(2-fluorophenyl)quinoline-3-carbaldehyde;[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]methanol
CID 157357887
8-Methyl-2-(2-methylphenyl)quinoline-3-carbaldehyde;[8-methyl-2-(2-methylphenyl)quinolin-3-yl]methanol
CID 157537340
8-Methyl-2-(2-phenylphenyl)quinoline-3-carbaldehyde;[8-methyl-2-(2-phenylphenyl)quinolin-3-yl]methanol
CID 157670764
(1R)-1-(2-chloro-8-fluoroquinolin-3-yl)ethanol;1-(2-chloro-8-fluoroquinolin-3-yl)ethanone
CID 158821019

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The IUPAC name of 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (CID 159565850) is 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.
What is the SMILES notation for 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The canonical SMILES for 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is O=Cc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F.OCc1cc2cccc(Cl)c2nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The InChIKey is MHELPCJTMZUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO.C17H9ClF3NO/c2*18-14-7-3-4-10-8-11(9-23)15(22-16(10)14)12-5-1-2-6-13(12)17(19,20)21/h1-8,23H,9H2;1-9H.
What are the key properties of 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol has a molecular weight of 673.44 g/mol, XLogP of 10.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is sourced from PubChem (CID 159565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).