5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C10H7F2NO3 — CID 142301727

IUPAC5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(F)cc(F)cc2N1
InChIInChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(10(15)16)3-8(14)13-7(9)2-4/h1-2,5H,3H2,(H,13,14)(H,15,16)
InChIKeyXCPUQDUNVVEHDJ-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.48
Rot. Bonds1

About 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 142301727) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID142301727
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(F)cc(F)cc2N1
InChIInChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(10(15)16)3-8(14)13-7(9)2-4/h1-2,5H,3H2,(H,13,14)(H,15,16)
InChIKeyXCPUQDUNVVEHDJ-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158455
5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158894
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79729372
2-[(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114991177
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297
6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 16770290
(3S)-2-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132896
(1R,1aR,6aR)-3,5-difluoro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125454821
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 142301727) is 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2c(F)cc(F)cc2N1.
What is the InChIKey of 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is XCPUQDUNVVEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(10(15)16)3-8(14)13-7(9)2-4/h1-2,5H,3H2,(H,13,14)(H,15,16).
What are the key properties of 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 142301727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).