N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide

C22H31N3O2 — CID 71753850

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
SMILESCOCCn1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc21
InChIInChI=1S/C22H31N3O2/c1-27-14-13-25-12-9-17-15-18(7-8-21(17)25)22(26)23-16-19-5-4-11-24-10-3-2-6-20(19)24/h7-9,12,15,19-20H,2-6,10-11,13-14,16H2,1H3,(H,23,26)/t19-,20+/m0/s1
InChIKeyVZEZFKFHWPDUJL-VQTJNVASSA-N
MW369.51 g/mol
LogP3.28
Rot. Bonds6

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide (PubChem CID 71753850) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
PubChem CID71753850
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
SMILESCOCCn1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc21
InChIInChI=1S/C22H31N3O2/c1-27-14-13-25-12-9-17-15-18(7-8-21(17)25)22(26)23-16-19-5-4-11-24-10-3-2-6-20(19)24/h7-9,12,15,19-20H,2-6,10-11,13-14,16H2,1H3,(H,23,26)/t19-,20+/m0/s1
InChIKeyVZEZFKFHWPDUJL-VQTJNVASSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide with MolForge

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Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
CID 163086607
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-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 124861903
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 97266069
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
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
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxamide
CID 125413823
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-bromobenzamide
CID 11915088
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-(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

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]-1-(2-methoxyethyl)indole-5-carboxamide?
The IUPAC name of 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) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide is COCCn1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc21.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
The InChIKey is VZEZFKFHWPDUJL-VQTJNVASSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-14-13-25-12-9-17-15-18(7-8-21(17)25)22(26)23-16-19-5-4-11-24-10-3-2-6-20(19)24/h7-9,12,15,19-20H,2-6,10-11,13-14,16H2,1H3,(H,23,26)/t19-,20+/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]-1-(2-methoxyethyl)indole-5-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-1-(2-methoxyethyl)indole-5-carboxamide is sourced from PubChem (CID 71753850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).