2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid

C16H7Cl2F2NO2 — CID 3286939

IUPAC2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(F)cc(F)cc12
InChIInChI=1S/C16H7Cl2F2NO2/c17-7-1-2-9(12(18)3-7)14-6-11(16(22)23)10-4-8(19)5-13(20)15(10)21-14/h1-6H,(H,22,23)
InChIKeyZIZONGUWKCHBRN-UHFFFAOYSA-N
MW354.14 g/mol
LogP5.18
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid

2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid (PubChem CID 3286939) has the molecular formula C16H7Cl2F2NO2 and a molecular weight of 354.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
PubChem CID3286939
Molecular FormulaC16H7Cl2F2NO2
Molecular Weight354.14 g/mol
Exact Mass352.98
IUPAC Name2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(F)cc(F)cc12
InChIInChI=1S/C16H7Cl2F2NO2/c17-7-1-2-9(12(18)3-7)14-6-11(16(22)23)10-4-8(19)5-13(20)15(10)21-14/h1-6H,(H,22,23)
InChIKeyZIZONGUWKCHBRN-UHFFFAOYSA-N
XLogP5.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.14
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988724
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648340
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid (CID 3286939) is 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(F)cc(F)cc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid?
The InChIKey is ZIZONGUWKCHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl2F2NO2/c17-7-1-2-9(12(18)3-7)14-6-11(16(22)23)10-4-8(19)5-13(20)15(10)21-14/h1-6H,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid?
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid has a molecular weight of 354.14 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 3286939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).