Basic information
- CAS
5684-67-3- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccccc1- InChIKey
QQGIRZMOOXJZIP-UHFFFAOYSA-N- Molecular formula
- C19H20N2O
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.15756327
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-benzyl-6-methoxy-
- IUPAC
- 1-benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
BRN 02909349H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-benzyl-6-methoxy-5684-67-34-23-00-02860 (Beilstein Handbook Reference)1-Benzyl-6-methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole1-Benzyl-6-methoxy-1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indoleRefChem:313641QQGIRZMOOXJZIP-UHFFFAOYSA-N1,2,3,4-Tetrahydro-1-benzyl-6-methoxy-9H-pyrido(3,4-b)indoleDTXSID109722691-benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole1-Benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline #
Database identifiers
- CAS
5684-67-3- PubChem CID
- 201238
- DTXSID
DTXSID10972269- Nikkaji
- J85.811K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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