1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide

C16H23N3O3S — CID 120582357

IUPAC1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NCC(N)C3CC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-11(20)19-8-2-3-13-6-7-14(9-16(13)19)23(21,22)18-10-15(17)12-4-5-12/h6-7,9,12,15,18H,2-5,8,10,17H2,1H3
InChIKeyFYGDBAIRCWFMRN-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.00
Rot. Bonds5

About 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 120582357) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID120582357
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NCC(N)C3CC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-11(20)19-8-2-3-13-6-7-14(9-16(13)19)23(21,22)18-10-15(17)12-4-5-12/h6-7,9,12,15,18H,2-5,8,10,17H2,1H3
InChIKeyFYGDBAIRCWFMRN-UHFFFAOYSA-N
XLogP1.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119983110
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-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 120582357) is 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)NCC(N)C3CC3)cc21.
What is the InChIKey of 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is FYGDBAIRCWFMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(20)19-8-2-3-13-6-7-14(9-16(13)19)23(21,22)18-10-15(17)12-4-5-12/h6-7,9,12,15,18H,2-5,8,10,17H2,1H3.
What are the key properties of 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 120582357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).