Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-9-methoxy-
Basic information
- CAS
126681-66-1- Standard SMILES
COc1ccc2c(c1)C1=NNC(=O)CC1(CO)CC2- InChIKey
VDOSTEWTEVGJEA-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-9-methoxy-
- IUPAC
- 4a-(hydroxymethyl)-9-methoxy-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Names & synonyms
4,4a,5,6-Tetrahydro-4a-(hydroxymethyl)-9-methoxybenzo(h)cinnolin-3(2H)-one126681-66-1Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-(hydroxymethyl)-9-methoxy-RefChem:326368DTXSID909256724a-(Hydroxymethyl)-9-methoxy-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-ol
Database identifiers
- CAS
126681-66-1- PubChem CID
- 3079906
- DTXSID
DTXSID90925672
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
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Compound notes
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