2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide

C21H27N3O3 — CID 75279904

IUPAC2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)Cn3ccc4ccccc43)CCC12
InChIInChI=1S/C21H27N3O3/c1-27-13-15-10-20(25)23-18-11-16(6-7-17(15)18)22-21(26)12-24-9-8-14-4-2-3-5-19(14)24/h2-5,8-9,15-18H,6-7,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyWVZHRFNTSSKEQG-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds5

About 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide

2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide (PubChem CID 75279904) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide
PubChem CID75279904
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)Cn3ccc4ccccc43)CCC12
InChIInChI=1S/C21H27N3O3/c1-27-13-15-10-20(25)23-18-11-16(6-7-17(15)18)22-21(26)12-24-9-8-14-4-2-3-5-19(14)24/h2-5,8-9,15-18H,6-7,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyWVZHRFNTSSKEQG-UHFFFAOYSA-N
XLogP2.08
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
CID 75280028
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
CID 75280043
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 75280082
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
CID 75279918
N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
CID 75279024
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
(2S,4S)-4-[(2-indol-1-ylacetyl)amino]-1-methylpyrrolidine-2-carboxylic acid
CID 91838216
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide (CID 75279904) is 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide is COCC1CC(=O)NC2CC(NC(=O)Cn3ccc4ccccc43)CCC12.
What is the InChIKey of 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide?
The InChIKey is WVZHRFNTSSKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-27-13-15-10-20(25)23-18-11-16(6-7-17(15)18)22-21(26)12-24-9-8-14-4-2-3-5-19(14)24/h2-5,8-9,15-18H,6-7,10-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide?
2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide is sourced from PubChem (CID 75279904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).