2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid

C18H13F2NO2 — CID 3881331

IUPAC2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C18H13F2NO2/c1-9-3-4-10(2)17-16(9)13(18(22)23)8-15(21-17)12-6-5-11(19)7-14(12)20/h3-8H,1-2H3,(H,22,23)
InChIKeyIMVHSIYVIYSCAO-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.50
Rot. Bonds2

About 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid

2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid (PubChem CID 3881331) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
PubChem CID3881331
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Name2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C18H13F2NO2/c1-9-3-4-10(2)17-16(9)13(18(22)23)8-15(21-17)12-6-5-11(19)7-14(12)20/h3-8H,1-2H3,(H,22,23)
InChIKeyIMVHSIYVIYSCAO-UHFFFAOYSA-N
XLogP4.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
CID 134083419
5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid
CID 3906811
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507825
2-(2,1-benzothiazol-3-yl)-5,8-dimethylquinoline-4-carboxylic acid
CID 129027744
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid (CID 3881331) is 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is IMVHSIYVIYSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2/c1-9-3-4-10(2)17-16(9)13(18(22)23)8-15(21-17)12-6-5-11(19)7-14(12)20/h3-8H,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid?
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 313.30 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 3881331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).