1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide

C15H15N5O3S — CID 126833470

IUPAC1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cn[nH]c3C#N)cc21
InChIInChI=1S/C15H15N5O3S/c1-10(21)20-6-2-3-11-4-5-12(7-15(11)20)24(22,23)19-14-9-17-18-13(14)8-16/h4-5,7,9,19H,2-3,6H2,1H3,(H,17,18)
InChIKeyUZVPDSJSJWUZHK-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.38
Rot. Bonds3

About 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 126833470) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID126833470
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cn[nH]c3C#N)cc21
InChIInChI=1S/C15H15N5O3S/c1-10(21)20-6-2-3-11-4-5-12(7-15(11)20)24(22,23)19-14-9-17-18-13(14)8-16/h4-5,7,9,19H,2-3,6H2,1H3,(H,17,18)
InChIKeyUZVPDSJSJWUZHK-UHFFFAOYSA-N
XLogP1.38
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867
1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 126833470) is 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cn[nH]c3C#N)cc21.
What is the InChIKey of 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is UZVPDSJSJWUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-10(21)20-6-2-3-11-4-5-12(7-15(11)20)24(22,23)19-14-9-17-18-13(14)8-16/h4-5,7,9,19H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 126833470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).