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

C18H14FNO3 — CID 171745595

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-11-15(18(22)23)17(21)14-3-1-2-4-16(14)20/h1-8,11H,9-10H2,(H,22,23)
InChIKeyRLQZUNNRTPPFBY-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.08
Rot. Bonds4

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

1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 171745595) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID171745595
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-11-15(18(22)23)17(21)14-3-1-2-4-16(14)20/h1-8,11H,9-10H2,(H,22,23)
InChIKeyRLQZUNNRTPPFBY-UHFFFAOYSA-N
XLogP3.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834195
6-bromo-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 94674258
6-amino-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 118706084
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
CID 82212701
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid (CID 171745595) is 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(CCc2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RLQZUNNRTPPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-11-15(18(22)23)17(21)14-3-1-2-4-16(14)20/h1-8,11H,9-10H2,(H,22,23).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 171745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).