1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride

C19H25ClN2O4 — CID 118644720

IUPAC1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride
SMILESCOc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1OC.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-16-9-13-14(11-20-15(13)10-17(16)24-2)18(22)25-12-19-3-6-21(7-4-19)8-5-19;/h9-11,20H,3-8,12H2,1-2H3;1H
InChIKeyCKMAVJRHLPJOQH-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.25
Rot. Bonds5

About 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride

1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride (PubChem CID 118644720) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride
PubChem CID118644720
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride
SMILESCOc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1OC.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-16-9-13-14(11-20-15(13)10-17(16)24-2)18(22)25-12-19-3-6-21(7-4-19)8-5-19;/h9-11,20H,3-8,12H2,1-2H3;1H
InChIKeyCKMAVJRHLPJOQH-UHFFFAOYSA-N
XLogP3.25
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride with MolForge

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Related Compounds

1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate
CID 118644571
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-hydroxy-5-methoxy-1H-indole-3-carboxylate
CID 129236266
1-azabicyclo[2.2.2]octan-4-ylmethyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-8-carboxylate
CID 118644696
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
CID 25234507
1-azabicyclo[2.2.2]octan-4-ylmethyl 5-(difluoromethoxymethyl)-1H-indole-3-carboxylate
CID 129231040
1-azabicyclo[2.2.1]heptan-4-ylmethyl 5-chloro-1H-indole-3-carboxylate
CID 25234436
1-azabicyclo[2.2.1]heptan-4-ylmethyl 5-methoxy-4-methyl-1H-indole-3-carboxylate
CID 129236250
1-azabicyclo[2.2.2]octan-4-ylmethyl 4-methoxy-5-(2,2,2-trifluoroethoxy)-1H-indole-3-carboxylate
CID 118644649
1-azabicyclo[2.2.2]octan-4-ylmethyl 5-fluoro-4-hydroxy-1H-indole-3-carboxylate
CID 122546933
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
5,6-dimethoxy-N,N-dipropyl-1H-indole-3-carboxamide
CID 113206941
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride (CID 118644720) is 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride is COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1OC.Cl.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride?
The InChIKey is CKMAVJRHLPJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-23-16-9-13-14(11-20-15(13)10-17(16)24-2)18(22)25-12-19-3-6-21(7-4-19)8-5-19;/h9-11,20H,3-8,12H2,1-2H3;1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride?
1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5,6-dimethoxy-1H-indole-3-carboxylate;hydrochloride is sourced from PubChem (CID 118644720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).