8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid

C22H13F2NO2 — CID 163825423

IUPAC8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2c(F)cccc12
InChIInChI=1S/C22H13F2NO2/c23-16-10-8-14(9-11-16)13-4-6-15(7-5-13)20-12-18(22(26)27)17-2-1-3-19(24)21(17)25-20/h1-12H,(H,26,27)
InChIKeyNZBIVVKXRQXNAJ-UHFFFAOYSA-N
MW361.35 g/mol
LogP5.55
Rot. Bonds3

About 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid

8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 163825423) has the molecular formula C22H13F2NO2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID163825423
Molecular FormulaC22H13F2NO2
Molecular Weight361.35 g/mol
Exact Mass361.09
IUPAC Name8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2c(F)cccc12
InChIInChI=1S/C22H13F2NO2/c23-16-10-8-14(9-11-16)13-4-6-15(7-5-13)20-12-18(22(26)27)17-2-1-3-19(24)21(17)25-20/h1-12H,(H,26,27)
InChIKeyNZBIVVKXRQXNAJ-UHFFFAOYSA-N
XLogP5.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.35
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid (CID 163825423) is 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is NZBIVVKXRQXNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2NO2/c23-16-10-8-14(9-11-16)13-4-6-15(7-5-13)20-12-18(22(26)27)17-2-1-3-19(24)21(17)25-20/h1-12H,(H,26,27).
What are the key properties of 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 361.35 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 163825423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).