1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H26N2O3S — CID 3239207

IUPAC1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C19H26N2O3S/c1-15(22)21-13-5-8-17-14-18(9-10-19(17)21)25(23,24)20-12-11-16-6-3-2-4-7-16/h6,9-10,14,20H,2-5,7-8,11-13H2,1H3
InChIKeyKRJZSBSWPSUPRH-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.15
Rot. Bonds5

About 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3239207) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3239207
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C19H26N2O3S/c1-15(22)21-13-5-8-17-14-18(9-10-19(17)21)25(23,24)20-12-11-16-6-3-2-4-7-16/h6,9-10,14,20H,2-5,7-8,11-13H2,1H3
InChIKeyKRJZSBSWPSUPRH-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3239207) is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is KRJZSBSWPSUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-15(22)21-13-5-8-17-14-18(9-10-19(17)21)25(23,24)20-12-11-16-6-3-2-4-7-16/h6,9-10,14,20H,2-5,7-8,11-13H2,1H3.
What are the key properties of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3239207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).