1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride

C15H24ClN3O3S — CID 119972412

IUPAC1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NCCC(C)N)cc21.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-22(20,21)14-6-5-13-4-3-9-18(12(2)19)15(13)10-14;/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3;1H
InChIKeyCNLCIMWGWKRVOY-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.42
Rot. Bonds5

About 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride

1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (PubChem CID 119972412) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
PubChem CID119972412
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NCCC(C)N)cc21.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-22(20,21)14-6-5-13-4-3-9-18(12(2)19)15(13)10-14;/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3;1H
InChIKeyCNLCIMWGWKRVOY-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780
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-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119983110
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (CID 119972412) is 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is CC(=O)N1CCCc2ccc(S(=O)(=O)NCCC(C)N)cc21.Cl.
What is the InChIKey of 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The InChIKey is CNLCIMWGWKRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11(16)7-8-17-22(20,21)14-6-5-13-4-3-9-18(12(2)19)15(13)10-14;/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3;1H.
What are the key properties of 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119972412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).