1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

C15H23N3O3S — CID 119964737

IUPAC1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C15H23N3O3S/c1-12(19)18-10-3-5-13-6-7-14(11-15(13)18)22(20,21)17-9-4-8-16-2/h6-7,11,16-17H,3-5,8-10H2,1-2H3
InChIKeyPNEXLWDKDRIGGB-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.87
Rot. Bonds6

About 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 119964737) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID119964737
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C15H23N3O3S/c1-12(19)18-10-3-5-13-6-7-14(11-15(13)18)22(20,21)17-9-4-8-16-2/h6-7,11,16-17H,3-5,8-10H2,1-2H3
InChIKeyPNEXLWDKDRIGGB-UHFFFAOYSA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119983110
1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46971443
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-(methylamino)propan-1-one
CID 82341570

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 119964737) is 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is CNCCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2.
What is the InChIKey of 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is PNEXLWDKDRIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(19)18-10-3-5-13-6-7-14(11-15(13)18)22(20,21)17-9-4-8-16-2/h6-7,11,16-17H,3-5,8-10H2,1-2H3.
What are the key properties of 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 119964737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).