6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

C17H8Cl2F3NO2 — CID 633518

IUPAC6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc12
InChIInChI=1S/C17H8Cl2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25)
InChIKeyCRYGTOAAXIRNKR-UHFFFAOYSA-N
MW386.16 g/mol
LogP5.93
Rot. Bonds2

About 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 633518) has the molecular formula C17H8Cl2F3NO2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID633518
Molecular FormulaC17H8Cl2F3NO2
Molecular Weight386.16 g/mol
Exact Mass384.99
IUPAC Name6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc12
InChIInChI=1S/C17H8Cl2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25)
InChIKeyCRYGTOAAXIRNKR-UHFFFAOYSA-N
XLogP5.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
CID 5215803
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 633518) is 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is CRYGTOAAXIRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F3NO2/c18-9-3-1-8(2-4-9)14-7-12(16(24)25)11-5-10(19)6-13(15(11)23-14)17(20,21)22/h1-7H,(H,24,25).
What are the key properties of 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 386.16 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).