5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C10H8FNO3 — CID 82158455

IUPAC5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(F)cccc2N1
InChIInChI=1S/C10H8FNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyWOROGEPIQBRLEE-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.34
Rot. Bonds1

About 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 82158455) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID82158455
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(F)cccc2N1
InChIInChI=1S/C10H8FNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyWOROGEPIQBRLEE-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158894
5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 142301727
6-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 83818424
3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119212465
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68830561
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
methyl (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 760384
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 82158455) is 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2c(F)cccc2N1.
What is the InChIKey of 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is WOROGEPIQBRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15).
What are the key properties of 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 82158455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).