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

C23H16FNO3 — CID 71816634

IUPAC6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H16FNO3/c24-17-8-11-21-19(12-17)20(23(26)27)13-22(25-21)16-6-9-18(10-7-16)28-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27)
InChIKeyMOXPDCMDTDXXHZ-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.32
Rot. Bonds5

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

6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 71816634) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID71816634
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H16FNO3/c24-17-8-11-21-19(12-17)20(23(26)27)13-22(25-21)16-6-9-18(10-7-16)28-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27)
InChIKeyMOXPDCMDTDXXHZ-UHFFFAOYSA-N
XLogP5.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.32
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-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (CID 71816634) is 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is MOXPDCMDTDXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-17-8-11-21-19(12-17)20(23(26)27)13-22(25-21)16-6-9-18(10-7-16)28-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27).
What are the key properties of 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71816634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).