5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid

C25H17FN2O3 — CID 46233032

IUPAC5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3ccc4ccccc43)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C25H17FN2O3/c26-20-5-3-7-22-23(20)24(29)19(25(30)31)15-27(22)14-16-8-10-18(11-9-16)28-13-12-17-4-1-2-6-21(17)28/h1-13,15H,14H2,(H,30,31)
InChIKeyVNOIGUMJSZELBB-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.83
Rot. Bonds4

About 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid

5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 46233032) has the molecular formula C25H17FN2O3 and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID46233032
Molecular FormulaC25H17FN2O3
Molecular Weight412.42 g/mol
Exact Mass412.12
IUPAC Name5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-n3ccc4ccccc43)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C25H17FN2O3/c26-20-5-3-7-22-23(20)24(29)19(25(30)31)15-27(22)14-16-8-10-18(11-9-16)28-13-12-17-4-1-2-6-21(17)28/h1-13,15H,14H2,(H,30,31)
InChIKeyVNOIGUMJSZELBB-UHFFFAOYSA-N
XLogP4.83
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-Fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid
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8-Fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid (CID 46233032) is 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-n3ccc4ccccc43)cc2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is VNOIGUMJSZELBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O3/c26-20-5-3-7-22-23(20)24(29)19(25(30)31)15-27(22)14-16-8-10-18(11-9-16)28-13-12-17-4-1-2-6-21(17)28/h1-13,15H,14H2,(H,30,31).
What are the key properties of 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid?
5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 412.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-indol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46233032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).