4-Methoxymethyl-5-(4-morpholinylmethyl)-beta-carboline-3-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)c1ncc2[nH]c3cccc(CN4CCOCC4)c3c2c1COC- InChIKey
VCOPEQPLBLWGMJ-UHFFFAOYSA-N- Molecular formula
- C21H25N3O4
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- 4-Methoxymethyl-5-(4-morpholinylmethyl)-beta-carboline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(methoxymethyl)-5-(morpholin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL10378121VCOPEQPLBLWGMJ-UHFFFAOYSA-N4-Methoxymethyl-5-(4-morpholinylmethyl)-beta-carboline-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 13850366
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
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Related reactions
3 records
Compound notes
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