N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide

C20H26BrN3O — CID 42506818

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H26BrN3O/c21-17-7-6-15-8-11-24(19(15)12-17)14-20(25)22-13-16-4-3-10-23-9-2-1-5-18(16)23/h6-8,11-12,16,18H,1-5,9-10,13-14H2,(H,22,25)/t16-,18+/m0/s1
InChIKeyRELIPIDQVGZJDS-FUHWJXTLSA-N
MW404.35 g/mol
LogP3.78
Rot. Bonds4

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide (PubChem CID 42506818) has the molecular formula C20H26BrN3O and a molecular weight of 404.35 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide
PubChem CID42506818
Molecular FormulaC20H26BrN3O
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H26BrN3O/c21-17-7-6-15-8-11-24(19(15)12-17)14-20(25)22-13-16-4-3-10-23-9-2-1-5-18(16)23/h6-8,11-12,16,18H,1-5,9-10,13-14H2,(H,22,25)/t16-,18+/m0/s1
InChIKeyRELIPIDQVGZJDS-FUHWJXTLSA-N
XLogP3.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide with MolForge

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-chloroindol-1-yl)propanamide
CID 163053407
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide
CID 45371513
2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266614
2-(6-bromoindol-1-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266615
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-bromobenzamide
CID 11915088
(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51972569
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
CID 163086607
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
CID 71753850
4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 42537037
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-bromo-3-methyl-1H-indole-2-carboxamide
CID 125434428

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide (CID 42506818) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide is O=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide?
The InChIKey is RELIPIDQVGZJDS-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H26BrN3O/c21-17-7-6-15-8-11-24(19(15)12-17)14-20(25)22-13-16-4-3-10-23-9-2-1-5-18(16)23/h6-8,11-12,16,18H,1-5,9-10,13-14H2,(H,22,25)/t16-,18+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide has a molecular weight of 404.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide is sourced from PubChem (CID 42506818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).