3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid

C18H12FNO5 — CID 171349573

IUPAC3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid
SMILESCOc1ccc(F)cc1-c1cnc2c(C(=O)O)ccc(C(=O)O)c2c1
InChIInChI=1S/C18H12FNO5/c1-25-15-5-2-10(19)7-13(15)9-6-14-11(17(21)22)3-4-12(18(23)24)16(14)20-8-9/h2-8H,1H3,(H,21,22)(H,23,24)
InChIKeyIBLMIBIZDDHULI-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.45
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid

3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid (PubChem CID 171349573) has the molecular formula C18H12FNO5 and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid
PubChem CID171349573
Molecular FormulaC18H12FNO5
Molecular Weight341.29 g/mol
Exact Mass341.07
IUPAC Name3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid
SMILESCOc1ccc(F)cc1-c1cnc2c(C(=O)O)ccc(C(=O)O)c2c1
InChIInChI=1S/C18H12FNO5/c1-25-15-5-2-10(19)7-13(15)9-6-14-11(17(21)22)3-4-12(18(23)24)16(14)20-8-9/h2-8H,1H3,(H,21,22)(H,23,24)
InChIKeyIBLMIBIZDDHULI-UHFFFAOYSA-N
XLogP3.45
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid (CID 171349573) is 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid is COc1ccc(F)cc1-c1cnc2c(C(=O)O)ccc(C(=O)O)c2c1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid?
The InChIKey is IBLMIBIZDDHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO5/c1-25-15-5-2-10(19)7-13(15)9-6-14-11(17(21)22)3-4-12(18(23)24)16(14)20-8-9/h2-8H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid?
3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid has a molecular weight of 341.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)quinoline-5,8-dicarboxylic acid is sourced from PubChem (CID 171349573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).