N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide

C19H24N4O2S — CID 75279382

IUPACN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3ccc4nsnc4c3)CCC2C1C
InChIInChI=1S/C19H24N4O2S/c1-3-13-10(2)14-6-5-12(9-16(14)21-19(13)25)20-18(24)11-4-7-15-17(8-11)23-26-22-15/h4,7-8,10,12-14,16H,3,5-6,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyMPAQDFNBELOHJP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.75
Rot. Bonds3

About N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide

N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 75279382) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID75279382
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3ccc4nsnc4c3)CCC2C1C
InChIInChI=1S/C19H24N4O2S/c1-3-13-10(2)14-6-5-12(9-16(14)21-19(13)25)20-18(24)11-4-7-15-17(8-11)23-26-22-15/h4,7-8,10,12-14,16H,3,5-6,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyMPAQDFNBELOHJP-UHFFFAOYSA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide with MolForge

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Related Compounds

4-cyano-N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279377
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
CID 75279386
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 75279343
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenyltriazole-4-carboxamide
CID 75279146
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 75279416
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124891885
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
N-[1-(2-fluoroethyl)-2-oxopyrrolidin-3-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 166314091

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide (CID 75279382) is N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide is CCC1C(=O)NC2CC(NC(=O)c3ccc4nsnc4c3)CCC2C1C.
What is the InChIKey of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is MPAQDFNBELOHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-13-10(2)14-6-5-12(9-16(14)21-19(13)25)20-18(24)11-4-7-15-17(8-11)23-26-22-15/h4,7-8,10,12-14,16H,3,5-6,9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 75279382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).