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

C23H33N3O — CID 110208151

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C23H33N3O/c1-24-16-18(20-9-3-4-11-22(20)24)12-13-23(27)25(2)17-19-8-7-15-26-14-6-5-10-21(19)26/h3-4,9,11,16,19,21H,5-8,10,12-15,17H2,1-2H3/t19-,21+/m0/s1
InChIKeyXMAZFILPXNXLMX-PZJWPPBQSA-N
MW367.54 g/mol
LogP3.83
Rot. Bonds5

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

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide (PubChem CID 110208151) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
PubChem CID110208151
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C23H33N3O/c1-24-16-18(20-9-3-4-11-22(20)24)12-13-23(27)25(2)17-19-8-7-15-26-14-6-5-10-21(19)26/h3-4,9,11,16,19,21H,5-8,10,12-15,17H2,1-2H3/t19-,21+/m0/s1
InChIKeyXMAZFILPXNXLMX-PZJWPPBQSA-N
XLogP3.83
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide 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]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide
CID 122169942
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 129490734
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137137330
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930
N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 134971218
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 162888966
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(1-propan-2-ylindol-3-yl)butanamide
CID 71754330
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 110852886
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678962
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-methylacetamide
CID 126418710
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 127253329

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]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide (CID 110208151) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide is CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The InChIKey is XMAZFILPXNXLMX-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H33N3O/c1-24-16-18(20-9-3-4-11-22(20)24)12-13-23(27)25(2)17-19-8-7-15-26-14-6-5-10-21(19)26/h3-4,9,11,16,19,21H,5-8,10,12-15,17H2,1-2H3/t19-,21+/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]-N-methyl-3-(1-methylindol-3-yl)propanamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide has a molecular weight of 367.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 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]-N-methyl-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 110208151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).