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

C21H27N3O2 — CID 75279343

IUPACN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3c[nH]c4ccccc34)CCC2C1C
InChIInChI=1S/C21H27N3O2/c1-3-14-12(2)15-9-8-13(10-19(15)24-20(14)25)23-21(26)17-11-22-18-7-5-4-6-16(17)18/h4-7,11-15,19,22H,3,8-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCSWYTYBKUITZHT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds3

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

N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide (PubChem CID 75279343) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 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)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
PubChem CID75279343
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
SMILESCCC1C(=O)NC2CC(NC(=O)c3c[nH]c4ccccc34)CCC2C1C
InChIInChI=1S/C21H27N3O2/c1-3-14-12(2)15-9-8-13(10-19(15)24-20(14)25)23-21(26)17-11-22-18-7-5-4-6-16(17)18/h4-7,11-15,19,22H,3,8-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCSWYTYBKUITZHT-UHFFFAOYSA-N
XLogP3.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

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
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
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
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
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(2-propylcyclopropyl)-1H-indole-3-carboxamide
CID 113246085
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
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-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267

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)-1H-indole-3-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)-1H-indole-3-carboxamide (CID 75279343) is N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-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)-1H-indole-3-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)-1H-indole-3-carboxamide is CCC1C(=O)NC2CC(NC(=O)c3c[nH]c4ccccc34)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)-1H-indole-3-carboxamide?
The InChIKey is CSWYTYBKUITZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-14-12(2)15-9-8-13(10-19(15)24-20(14)25)23-21(26)17-11-22-18-7-5-4-6-16(17)18/h4-7,11-15,19,22H,3,8-10H2,1-2H3,(H,23,26)(H,24,25).
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)-1H-indole-3-carboxamide?
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 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)-1H-indole-3-carboxamide is sourced from PubChem (CID 75279343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).