3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid

C17H12FNO3 — CID 10447322

IUPAC3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C17H12FNO3/c18-13-4-1-10(2-5-13)7-11-8-12-3-6-14(17(21)22)16(20)15(12)19-9-11/h1-6,8-9,20H,7H2,(H,21,22)
InChIKeyYNINQFAJYQERFE-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.37
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid (PubChem CID 10447322) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid
PubChem CID10447322
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C17H12FNO3/c18-13-4-1-10(2-5-13)7-11-8-12-3-6-14(17(21)22)16(20)15(12)19-9-11/h1-6,8-9,20H,7H2,(H,21,22)
InChIKeyYNINQFAJYQERFE-UHFFFAOYSA-N
XLogP3.37
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid (CID 10447322) is 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid is O=C(O)c1ccc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid?
The InChIKey is YNINQFAJYQERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-4-1-10(2-5-13)7-11-8-12-3-6-14(17(21)22)16(20)15(12)19-9-11/h1-6,8-9,20H,7H2,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid is sourced from PubChem (CID 10447322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).