3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid

C18H12FNO5 — CID 10088672

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H12FNO5/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(22)23)7-14(18(24)25)16(21)15(12)20-8-10/h1-4,6-8,21H,5H2,(H,22,23)(H,24,25)
InChIKeyOBUGZHKTTGOCFG-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.07
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid (PubChem CID 10088672) has the molecular formula C18H12FNO5 and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
PubChem CID10088672
Molecular FormulaC18H12FNO5
Molecular Weight341.29 g/mol
Exact Mass341.07
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H12FNO5/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(22)23)7-14(18(24)25)16(21)15(12)20-8-10/h1-4,6-8,21H,5H2,(H,22,23)(H,24,25)
InChIKeyOBUGZHKTTGOCFG-UHFFFAOYSA-N
XLogP3.07
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid (CID 10088672) is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid?
The InChIKey is OBUGZHKTTGOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO5/c19-11-3-1-9(2-4-11)5-10-6-12-13(17(22)23)7-14(18(24)25)16(21)15(12)20-8-10/h1-4,6-8,21H,5H2,(H,22,23)(H,24,25).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid has a molecular weight of 341.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylic acid is sourced from PubChem (CID 10088672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).