1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride

C15H22ClN3O3S — CID 119966867

IUPAC1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11(19)18-8-2-3-12-4-5-14(9-15(12)18)22(20,21)17-13-6-7-16-10-13;/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3;1H
InChIKeyLSOLSKAHVHWCLV-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.05
Rot. Bonds3

About 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride

1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (PubChem CID 119966867) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
PubChem CID119966867
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11(19)18-8-2-3-12-4-5-14(9-15(12)18)22(20,21)17-13-6-7-16-10-13;/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3;1H
InChIKeyLSOLSKAHVHWCLV-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride (CID 119966867) is 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is CC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl.
What is the InChIKey of 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
The InChIKey is LSOLSKAHVHWCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-11(19)18-8-2-3-12-4-5-14(9-15(12)18)22(20,21)17-13-6-7-16-10-13;/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3;1H.
What are the key properties of 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride?
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119966867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).