6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

C22H14FNO3 — CID 53357599

IUPAC6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26)
InChIKeyOOWRVCMHHDPFOK-UHFFFAOYSA-N
MW359.36 g/mol
LogP5.53
Rot. Bonds4

About 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 53357599) has the molecular formula C22H14FNO3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
PubChem CID53357599
Molecular FormulaC22H14FNO3
Molecular Weight359.36 g/mol
Exact Mass359.10
IUPAC Name6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C22H14FNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26)
InChIKeyOOWRVCMHHDPFOK-UHFFFAOYSA-N
XLogP5.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.36
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (CID 53357599) is 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is OOWRVCMHHDPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26).
What are the key properties of 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 53357599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).