2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid

C17H11F2NO2 — CID 5238835

IUPAC2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(F)cc3F)cc(C(=O)O)c2c1
InChIInChI=1S/C17H11F2NO2/c1-9-2-5-15-12(6-9)13(17(21)22)8-16(20-15)11-4-3-10(18)7-14(11)19/h2-8H,1H3,(H,21,22)
InChIKeyBBTRXYCYPWWYQE-UHFFFAOYSA-N
MW299.28 g/mol
LogP4.19
Rot. Bonds2

About 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid

2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 5238835) has the molecular formula C17H11F2NO2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID5238835
Molecular FormulaC17H11F2NO2
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(F)cc3F)cc(C(=O)O)c2c1
InChIInChI=1S/C17H11F2NO2/c1-9-2-5-15-12(6-9)13(17(21)22)8-16(20-15)11-4-3-10(18)7-14(11)19/h2-8H,1H3,(H,21,22)
InChIKeyBBTRXYCYPWWYQE-UHFFFAOYSA-N
XLogP4.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
CID 137154328
CID 137154328
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
CID 134083419
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid (CID 5238835) is 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(F)cc3F)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is BBTRXYCYPWWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2/c1-9-2-5-15-12(6-9)13(17(21)22)8-16(20-15)11-4-3-10(18)7-14(11)19/h2-8H,1H3,(H,21,22).
What are the key properties of 2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid?
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 4.19, 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)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).