1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid

C23H23FN6O5S — CID 166636154

IUPAC1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(/N=N/N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1
InChIInChI=1S/C23H23FN6O5S/c24-19-11-17-20(30(15-3-4-15)13-18(22(17)31)23(32)33)12-21(19)28-7-9-29(10-8-28)27-26-14-1-5-16(6-2-14)36(25,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,25,34,35)/b27-26+
InChIKeyABMLCXHASODBAT-CYYJNZCTSA-N
MW514.54 g/mol
LogP2.64
Rot. Bonds6

About 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid (PubChem CID 166636154) has the molecular formula C23H23FN6O5S and a molecular weight of 514.54 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid
PubChem CID166636154
Molecular FormulaC23H23FN6O5S
Molecular Weight514.54 g/mol
Exact Mass514.14
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(/N=N/N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1
InChIInChI=1S/C23H23FN6O5S/c24-19-11-17-20(30(15-3-4-15)13-18(22(17)31)23(32)33)12-21(19)28-7-9-29(10-8-28)27-26-14-1-5-16(6-2-14)36(25,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,25,34,35)/b27-26+
InChIKeyABMLCXHASODBAT-CYYJNZCTSA-N
XLogP2.64
TPSA150.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-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

1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;methanesulfonic acid
CID 46190771
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 2106919
1-cyclopropyl-7-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 44590310
1-cyclohexylpiperazine;7-(4-cyclohexylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70353590
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
copper;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 118913911
7-[4-[(E)-4-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]but-2-enyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10078540
7-[4-(4-azidobutyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 42625890
1-cyclopropyl-6-fluoro-7-[4-[(E)-N'-(N'-methylcarbamimidoyl)carbamimidoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 142119036
1-cyclopropyl-7-[4-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 21274484

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid (CID 166636154) is 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid is NS(=O)(=O)c1ccc(/N=N/N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is ABMLCXHASODBAT-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H23FN6O5S/c24-19-11-17-20(30(15-3-4-15)13-18(22(17)31)23(32)33)12-21(19)28-7-9-29(10-8-28)27-26-14-1-5-16(6-2-14)36(25,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,25,34,35)/b27-26+.
What are the key properties of 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 514.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-sulfamoylphenyl)diazenyl]piperazin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 166636154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).