1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C14H20N2O3S — CID 3243437

IUPAC1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-7-14-12(10-13)5-4-9-16(14)11(2)17/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyKKHMZTFYFSTEGX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.67
Rot. Bonds4

About 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3243437) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3243437
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-7-14-12(10-13)5-4-9-16(14)11(2)17/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyKKHMZTFYFSTEGX-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3243437) is 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is KKHMZTFYFSTEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-7-14-12(10-13)5-4-9-16(14)11(2)17/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3243437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).