2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide

C15H18N4O3S — CID 7586484

IUPAC2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H18N4O3S/c1-9-15(10(2)19(3)17-9)18-23(21,22)12-5-6-13-11(8-12)4-7-14(20)16-13/h5-6,8,18H,4,7H2,1-3H3,(H,16,20)
InChIKeyMBXNBWMSEASSOC-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.72
Rot. Bonds3

About 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 7586484) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID7586484
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H18N4O3S/c1-9-15(10(2)19(3)17-9)18-23(21,22)12-5-6-13-11(8-12)4-7-14(20)16-13/h5-6,8,18H,4,7H2,1-3H3,(H,16,20)
InChIKeyMBXNBWMSEASSOC-UHFFFAOYSA-N
XLogP1.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4h)-yl)-N-phenylacetamide
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N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
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N-(2,5-Dimethylphenyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-3-carboxamide
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N~3~-(2,4-dimethylphenyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
CID 15990948
4-piperidin-1-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
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3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
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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
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 8015534
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1-acetyl-5-(pyrrolidine-1-sulfonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 20956474

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 7586484) is 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is MBXNBWMSEASSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-15(10(2)19(3)17-9)18-23(21,22)12-5-6-13-11(8-12)4-7-14(20)16-13/h5-6,8,18H,4,7H2,1-3H3,(H,16,20).
What are the key properties of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 7586484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).