14-Methyl-5-oxo-7,8,8a,13a-tetrahydro-5h-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ide
Basic information
- CAS
67909-49-3- Standard SMILES
C[n+]1c2n(c(=O)c3ccccc31)CCC1c3ccccc3[N-]C21- InChIKey
SBQCRXRVLAINNJ-UHFFFAOYSA-N- Molecular formula
- C19H17N3O
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.13716217
Names & identifiers
- Preferred name
- 14-Methyl-5-oxo-7,8,8a,13a-tetrahydro-5h-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ide
- IUPAC
- 21-methyl-13-aza-21-azonia-3-azanidapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one
- English name
- Dehydroevodiamine
- Molecular formula
- C19H15N3O
- Molecular weight
- 301.35
Names & synonyms
14-methyl-5-oxo-7,8,8a,13a-tetrahydro-5h-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ideDehydroevodiamine [M+H]+DTXSID6098728721-methyl-13-aza-21-azonia-3-azanidapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-onedehydrovodiamineDehydroevodiamineDehydroevodiamine (Standard)14-Methyl-5(7H)-oxo-8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14-ium8,13-Dihydro-14-methyl-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazolinium inner salt5,7,8,13-Tetrahydro-14-methyl-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ideIndolo[2',3':3,4]pyrido[2,1-b]quinazolinium,8,13-dihydro-14-methyl-5-oxo-, inner salt
Show more names
14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]-pyrido[2,1-b]quinazolin-14-ium-13-ide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Melting point
- 190 · 190-192℃
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- color
- Yellow
- InChI
- InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
- InChIKey
- VXHNSVKJHXSKKM-UHFFFAOYSA-N
- SMILES
- O=C1C2C=CC=CC=2[N+](C)=C2C3=C(CCN12)C1C=CC=CC=1[N-]3
Chemistry & industry
Applications
UsesDehydroevodiamine is a novel alkaloid which displays butyrylcholinesterase inhibitory activity in vivo.
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Compound notes
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