1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide

C17H21N5O3S — CID 128999323

IUPAC1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCn4ncnc43)cc21
InChIInChI=1S/C17H21N5O3S/c1-12(23)21-8-2-4-13-6-7-14(10-16(13)21)26(24,25)20-15-5-3-9-22-17(15)18-11-19-22/h6-7,10-11,15,20H,2-5,8-9H2,1H3
InChIKeyKALJEGJEUDWIHK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.39
Rot. Bonds3

About 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 128999323) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID128999323
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCn4ncnc43)cc21
InChIInChI=1S/C17H21N5O3S/c1-12(23)21-8-2-4-13-6-7-14(10-16(13)21)26(24,25)20-15-5-3-9-22-17(15)18-11-19-22/h6-7,10-11,15,20H,2-5,8-9H2,1H3
InChIKeyKALJEGJEUDWIHK-UHFFFAOYSA-N
XLogP1.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 121579310
1-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 72101014
4-methyl-3-[({[2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]amino}carbonyl)amino]benzenesulfonamide
CID 72851845
(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide
CID 70662449
N-[(2S)-3-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 70662452
1-[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17567116
2-(3-cyano-1,2,4-triazol-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 25516607
6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 40043196
1-acetyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46972001
1-acetyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 52404985
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)propan-1-one
CID 53577672
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)ethanone
CID 53585541

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 128999323) is 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)NC3CCCn4ncnc43)cc21.
What is the InChIKey of 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is KALJEGJEUDWIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12(23)21-8-2-4-13-6-7-14(10-16(13)21)26(24,25)20-15-5-3-9-22-17(15)18-11-19-22/h6-7,10-11,15,20H,2-5,8-9H2,1H3.
What are the key properties of 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 128999323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).