N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H19FN4O3S — CID 154737899

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nn(C)cc1C(C)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19FN4O3S/c1-9-12(8-21(3)19-9)10(2)20-25(23,24)15-6-11-4-5-16(22)18-14(11)7-13(15)17/h6-8,10,20H,4-5H2,1-3H3,(H,18,22)
InChIKeyOYWHCWGYZTWXDV-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.79
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 154737899) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID154737899
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nn(C)cc1C(C)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19FN4O3S/c1-9-12(8-21(3)19-9)10(2)20-25(23,24)15-6-11-4-5-16(22)18-14(11)7-13(15)17/h6-8,10,20H,4-5H2,1-3H3,(H,18,22)
InChIKeyOYWHCWGYZTWXDV-UHFFFAOYSA-N
XLogP1.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 154737899) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1nn(C)cc1C(C)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is OYWHCWGYZTWXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-9-12(8-21(3)19-9)10(2)20-25(23,24)15-6-11-4-5-16(22)18-14(11)7-13(15)17/h6-8,10,20H,4-5H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 366.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 154737899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).