1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide

C16H23N3O3S — CID 119964163

IUPAC1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCNC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-9-3-4-13-6-7-15(10-16(13)19)23(21,22)18-14-5-2-8-17-11-14/h6-7,10,14,17-18H,2-5,8-9,11H2,1H3
InChIKeyZBVPYLPIZHVZMS-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.02
Rot. Bonds3

About 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 119964163) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID119964163
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCNC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-9-3-4-13-6-7-15(10-16(13)19)23(21,22)18-14-5-2-8-17-11-14/h6-7,10,14,17-18H,2-5,8-9,11H2,1H3
InChIKeyZBVPYLPIZHVZMS-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120716762

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 119964163) is 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCNC3)cc21.
What is the InChIKey of 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is ZBVPYLPIZHVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(20)19-9-3-4-13-6-7-15(10-16(13)19)23(21,22)18-14-5-2-8-17-11-14/h6-7,10,14,17-18H,2-5,8-9,11H2,1H3.
What are the key properties of 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 119964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).