1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate

C19H24N2O3 — CID 118644571

IUPAC1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate
SMILESCOc1cc2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2cc1C
InChIInChI=1S/C19H24N2O3/c1-13-9-16-14(10-17(13)23-2)15(11-20-16)18(22)24-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3
InChIKeyLZUVQARBNPDOML-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds4

About 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate

1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate (PubChem CID 118644571) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate
PubChem CID118644571
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate
SMILESCOc1cc2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2cc1C
InChIInChI=1S/C19H24N2O3/c1-13-9-16-14(10-17(13)23-2)15(11-20-16)18(22)24-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3
InChIKeyLZUVQARBNPDOML-UHFFFAOYSA-N
XLogP3.13
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate (CID 118644571) is 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate is COc1cc2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2cc1C.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate?
The InChIKey is LZUVQARBNPDOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-9-16-14(10-17(13)23-2)15(11-20-16)18(22)24-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate?
1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-4-ylmethyl 5-methoxy-6-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 118644571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).