7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H19FN4O3S — CID 55905295

IUPAC7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1ncc2c1CCCC2NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H19FN4O3S/c1-22-15-4-2-3-13(11(15)9-19-22)21-26(24,25)16-7-10-5-6-17(23)20-14(10)8-12(16)18/h7-9,13,21H,2-6H2,1H3,(H,20,23)
InChIKeyBXSYGVJFDNXMLA-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.80
Rot. Bonds3

About 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55905295) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID55905295
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1ncc2c1CCCC2NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H19FN4O3S/c1-22-15-4-2-3-13(11(15)9-19-22)21-26(24,25)16-7-10-5-6-17(23)20-14(10)8-12(16)18/h7-9,13,21H,2-6H2,1H3,(H,20,23)
InChIKeyBXSYGVJFDNXMLA-UHFFFAOYSA-N
XLogP1.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
CID 71567009
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2,3,4-tetrahydro-6-quinolinesulfonamide hydrochloride
CID 70710864
2-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 70781783
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
CID 71567143
11-oxo-N-({4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}methyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 91629722
6-((6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)sulfonyl)-3,4-dihydroquinolin-2(1H)-one
CID 121170847
N-[4-(propan-2-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
CID 58267291
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267358
N-[4-(propan-2-ylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267365
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58291910
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58292173

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55905295) is 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cn1ncc2c1CCCC2NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is BXSYGVJFDNXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-22-15-4-2-3-13(11(15)9-19-22)21-26(24,25)16-7-10-5-6-17(23)20-14(10)8-12(16)18/h7-9,13,21H,2-6H2,1H3,(H,20,23).
What are the key properties of 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55905295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).