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

C22H31N3O2 — CID 100620427

IUPACN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2ccn(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c12
InChIInChI=1S/C22H31N3O2/c1-27-20-9-4-6-17-10-14-25(22(17)20)15-11-21(26)23-16-18-7-5-13-24-12-3-2-8-19(18)24/h4,6,9-10,14,18-19H,2-3,5,7-8,11-13,15-16H2,1H3,(H,23,26)/t18-,19-/m1/s1
InChIKeyGLSSHOJRPRASDQ-RTBURBONSA-N
MW369.51 g/mol
LogP3.42
Rot. Bonds6

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

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide (PubChem CID 100620427) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide
PubChem CID100620427
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2ccn(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c12
InChIInChI=1S/C22H31N3O2/c1-27-20-9-4-6-17-10-14-25(22(17)20)15-11-21(26)23-16-18-7-5-13-24-12-3-2-8-19(18)24/h4,6,9-10,14,18-19H,2-3,5,7-8,11-13,15-16H2,1H3,(H,23,26)/t18-,19-/m1/s1
InChIKeyGLSSHOJRPRASDQ-RTBURBONSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-fluoroindol-1-yl)propanamide
CID 45371513
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
CID 163086607
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-chloroindol-1-yl)propanamide
CID 163053407
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-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
CID 71753850
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[1-(2-methoxyethyl)indol-3-yl]acetamide
CID 71753943
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(6aS)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]propanamide
CID 125430023
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6-dimethoxy-1-methylindole-2-carboxamide
CID 125356402
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 91636949
2-[3-(7-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 75269590
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide?
The IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide (CID 100620427) is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide.
What is the SMILES notation for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide?
The canonical SMILES for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide is COc1cccc2ccn(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c12.
What is the InChIKey of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide?
The InChIKey is GLSSHOJRPRASDQ-RTBURBONSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-20-9-4-6-17-10-14-25(22(17)20)15-11-21(26)23-16-18-7-5-13-24-12-3-2-8-19(18)24/h4,6,9-10,14,18-19H,2-3,5,7-8,11-13,15-16H2,1H3,(H,23,26)/t18-,19-/m1/s1.
What are the key properties of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide?
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(7-methoxyindol-1-yl)propanamide is sourced from PubChem (CID 100620427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).