1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid

C17H12FNO3 — CID 142731680

IUPAC1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12FNO3/c18-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(16(19)20)17(21)22/h1-9H,10H2,(H,21,22)
InChIKeyFEFWOLKMNZROKE-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.89
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid (PubChem CID 142731680) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
PubChem CID142731680
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12FNO3/c18-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(16(19)20)17(21)22/h1-9H,10H2,(H,21,22)
InChIKeyFEFWOLKMNZROKE-UHFFFAOYSA-N
XLogP2.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 5311555
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731690

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid (CID 142731680) is 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid?
The InChIKey is FEFWOLKMNZROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-7-5-11(6-8-13)10-19-15-4-2-1-3-12(15)9-14(16(19)20)17(21)22/h1-9H,10H2,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 142731680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).