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

C17H28ClN3O3S — CID 119983110

IUPAC1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC(CN)CC(C)C)cc21.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)9-15(11-18)19-24(22,23)16-7-6-14-5-4-8-20(13(3)21)17(14)10-16;/h6-7,10,12,15,19H,4-5,8-9,11,18H2,1-3H3;1H
InChIKeyLCHNDMBJGORGGE-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.06
Rot. Bonds6

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

1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (PubChem CID 119983110) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
PubChem CID119983110
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC(CN)CC(C)C)cc21.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)9-15(11-18)19-24(22,23)16-7-6-14-5-4-8-20(13(3)21)17(14)10-16;/h6-7,10,12,15,19H,4-5,8-9,11,18H2,1-3H3;1H
InChIKeyLCHNDMBJGORGGE-UHFFFAOYSA-N
XLogP2.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride with MolForge

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Related Compounds

1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780
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)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (CID 119983110) is 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is CC(=O)N1CCCc2ccc(S(=O)(=O)NC(CN)CC(C)C)cc21.Cl.
What is the InChIKey of 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The InChIKey is LCHNDMBJGORGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12(2)9-15(11-18)19-24(22,23)16-7-6-14-5-4-8-20(13(3)21)17(14)10-16;/h6-7,10,12,15,19H,4-5,8-9,11,18H2,1-3H3;1H.
What are the key properties of 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).