6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate

C23H14F2NO2- — CID 86309017

IUPAC6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
InChIKeyPHEZJEYUWHETKO-UHFFFAOYSA-M
MW374.37 g/mol
LogP4.52
Rot. Bonds3

About 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate

6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate (PubChem CID 86309017) has the molecular formula C23H14F2NO2- and a molecular weight of 374.37 g/mol. Its IUPAC name is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
PubChem CID86309017
Molecular FormulaC23H14F2NO2-
Molecular Weight374.37 g/mol
Exact Mass374.10
IUPAC Name6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
InChIKeyPHEZJEYUWHETKO-UHFFFAOYSA-M
XLogP4.52
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 162343089
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-N-methylsulfonylquinoline-4-carboxamide
CID 162659635
6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 91934812
sodium 6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 23673428
6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 87930625
2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol
CID 162673274
6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 136722831
9-fluoro-3-(2-methylphenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate
CID 91930911
6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
CID 91930963
6-fluoro-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]indol-3-yl]quinoline-4-carboxylate
CID 91930952
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 513434
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The IUPAC name of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate (CID 86309017) is 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate.
What is the SMILES notation for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The canonical SMILES for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate is Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].
What is the InChIKey of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The InChIKey is PHEZJEYUWHETKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1.
What are the key properties of 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 86309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).