Basic information
- CAS
6808-65-7- Standard SMILES
c1ccc2nc(-c3ccc4c(c3)OCO4)ccc2c1- InChIKey
VQHLFUQPZRTKIV-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Overview
Dubamine is a member of quinolines.
Names & identifiers
- Preferred name
- Dubamine
- IUPAC
- 2-(1,3-benzodioxol-5-yl)quinoline
- English name
- C10661
- Molecular formula
- C16H11NO2
- Molecular weight
- 249.26
Names & synonyms
Dubamine2-(1,3-benzodioxol-5-yl)quinolineDTXSID40326933RefChem:135944DTXCID602780462-(3'4'-Methylenedioxyphenyl)quinoline6808-65-72-(2H-1,3-benzodioxol-5-yl)quinolineOprea1_457594MLS001048989C10661SMR000387040
Show more names
Quinoline, 2-(1,3-benzodioxol-5-yl)-
AC1L7GFLSureCN7004578Oprea1_595881CHEBI:4721CHEMBL502774cid_360322SCHEMBL7004578SCHEMBL7466888
Database identifiers
- CAS
6808-65-7- PubChem CID
- 360322
- DTXSID
DTXSID40326933- ChEMBL
CHEMBL502774- ChEBI
CHEBI:4721- Nikkaji
- J13.638G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Chemistry & industry
Suppliers1 total
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Additional notes
DefinitionChEBI: Dubamine is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…