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

C23H33N3O3 — CID 110207074

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)n(C)c2c1
InChIInChI=1S/C23H33N3O3/c1-24(15-16-8-7-11-26-10-6-5-9-19(16)26)23(27)21-14-18-20(25(21)2)12-17(28-3)13-22(18)29-4/h12-14,16,19H,5-11,15H2,1-4H3/t16-,19+/m0/s1
InChIKeyKEBZZMQUFAJGPU-QFBILLFUSA-N
MW399.54 g/mol
LogP3.53
Rot. Bonds5

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

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide (PubChem CID 110207074) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide
PubChem CID110207074
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)n(C)c2c1
InChIInChI=1S/C23H33N3O3/c1-24(15-16-8-7-11-26-10-6-5-9-19(16)26)23(27)21-14-18-20(25(21)2)12-17(28-3)13-22(18)29-4/h12-14,16,19H,5-11,15H2,1-4H3/t16-,19+/m0/s1
InChIKeyKEBZZMQUFAJGPU-QFBILLFUSA-N
XLogP3.53
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide 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]-4,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 110207967
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
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
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 124879694
(3R)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 129490702
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
(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 124874295
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110876784
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100906200
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 122169759
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-chloro-1-methylindole-2-carboxamide
CID 125338467
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 126418452

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]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide (CID 110207074) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide is COc1cc(OC)c2cc(C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)n(C)c2c1.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide?
The InChIKey is KEBZZMQUFAJGPU-QFBILLFUSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-24(15-16-8-7-11-26-10-6-5-9-19(16)26)23(27)21-14-18-20(25(21)2)12-17(28-3)13-22(18)29-4/h12-14,16,19H,5-11,15H2,1-4H3/t16-,19+/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]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-4,6-dimethoxy-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 110207074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).