6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid

C16H7F3N2O5 — CID 19090517

IUPAC6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H7F3N2O5/c17-10-2-1-7(3-14(10)21(25)26)20-6-9(16(23)24)15(22)8-4-11(18)12(19)5-13(8)20/h1-6H,(H,23,24)
InChIKeyWRZQIPSLCPXVBX-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.01
Rot. Bonds3

About 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid

6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 19090517) has the molecular formula C16H7F3N2O5 and a molecular weight of 364.24 g/mol. Its IUPAC name is 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID19090517
Molecular FormulaC16H7F3N2O5
Molecular Weight364.24 g/mol
Exact Mass364.03
IUPAC Name6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H7F3N2O5/c17-10-2-1-7(3-14(10)21(25)26)20-6-9(16(23)24)15(22)8-4-11(18)12(19)5-13(8)20/h1-6H,(H,23,24)
InChIKeyWRZQIPSLCPXVBX-UHFFFAOYSA-N
XLogP3.01
TPSA102.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-6-fluoro-1-(1-methyl-4-nitropyrrol-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 10406553
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
6-fluoro-1-(1-methyl-4-nitropyrrol-3-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10365327
ethyl 1-(2,4-difluoro-5-nitrophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 15860364
6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 5270922
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
7-(3-aminoprop-1-en-2-yl)-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 14883375
1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 156848278
6,7-difluoro-4-oxo-1-[3-(triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid
CID 151629846
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924
1-ethyl-6-fluoro-7-[4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 166632896
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 10430164

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid (CID 19090517) is 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WRZQIPSLCPXVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F3N2O5/c17-10-2-1-7(3-14(10)21(25)26)20-6-9(16(23)24)15(22)8-4-11(18)12(19)5-13(8)20/h1-6H,(H,23,24).
What are the key properties of 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid?
6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 364.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19090517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).