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

C17H25N3O3S — CID 120723261

IUPAC1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CNCCC3C)cc21
InChIInChI=1S/C17H25N3O3S/c1-12-7-8-18-11-16(12)19-24(22,23)15-6-5-14-4-3-9-20(13(2)21)17(14)10-15/h5-6,10,12,16,18-19H,3-4,7-9,11H2,1-2H3
InChIKeyALQIVLHIXUEJPM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.26
Rot. Bonds3

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

1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 120723261) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID120723261
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CNCCC3C)cc21
InChIInChI=1S/C17H25N3O3S/c1-12-7-8-18-11-16(12)19-24(22,23)15-6-5-14-4-3-9-20(13(2)21)17(14)10-15/h5-6,10,12,16,18-19H,3-4,7-9,11H2,1-2H3
InChIKeyALQIVLHIXUEJPM-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 120723261) is 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)NC3CNCCC3C)cc21.
What is the InChIKey of 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is ALQIVLHIXUEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-7-8-18-11-16(12)19-24(22,23)15-6-5-14-4-3-9-20(13(2)21)17(14)10-15/h5-6,10,12,16,18-19H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 120723261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).