5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid

C25H18F2N2O2 — CID 141340600

IUPAC5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)ccc2c1N1CCCc2cc(F)ccc21
InChIInChI=1S/C25H18F2N2O2/c26-17-5-3-15(4-6-17)21-10-8-19-22(28-21)11-9-20(25(30)31)24(19)29-13-1-2-16-14-18(27)7-12-23(16)29/h3-12,14H,1-2,13H2,(H,30,31)
InChIKeyAQGLXLNESYJZKD-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.96
Rot. Bonds3

About 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid

5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid (PubChem CID 141340600) has the molecular formula C25H18F2N2O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid
PubChem CID141340600
Molecular FormulaC25H18F2N2O2
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC Name5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)ccc2c1N1CCCc2cc(F)ccc21
InChIInChI=1S/C25H18F2N2O2/c26-17-5-3-15(4-6-17)21-10-8-19-22(28-21)11-9-20(25(30)31)24(19)29-13-1-2-16-14-18(27)7-12-23(16)29/h3-12,14H,1-2,13H2,(H,30,31)
InChIKeyAQGLXLNESYJZKD-UHFFFAOYSA-N
XLogP5.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 70645719
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
3-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenyl)quinoline-6-carboxylic acid
CID 141340632
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
CID 16789242
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932
2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
CID 131988328
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 2322476
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid?
The IUPAC name of 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid (CID 141340600) is 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(F)cc3)ccc2c1N1CCCc2cc(F)ccc21.
What is the InChIKey of 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid?
The InChIKey is AQGLXLNESYJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O2/c26-17-5-3-15(4-6-17)21-10-8-19-22(28-21)11-9-20(25(30)31)24(19)29-13-1-2-16-14-18(27)7-12-23(16)29/h3-12,14H,1-2,13H2,(H,30,31).
What are the key properties of 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid?
5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid has a molecular weight of 416.43 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 141340600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).