Basic information
- CAS
891197-41-4- Standard SMILES
CCOc1cc(OCC)c2nc3n(c(=O)c2c1)CCCCC3- InChIKey
MCFSYEWJQOTORP-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.16304257
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4-Diethoxy-6,7,8,9,10,12-hexahydroazepino(2,1-b)quinazolin-12-one
- IUPAC
- 2,4-diethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
- English name
- Azepino[2,1-b]quinazolin-12(6H)-one, 2,4-diethoxy-7,8,9,10-tetrahydro-
- Molecular formula
- C17H22N2O3
- Molecular weight
- 302.37
Names & synonyms
2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino(2,1-b)quinazolin-12-one2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-oneRefChem:9087472,4-DHA-Q cpd891197-41-42,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-oneDTXSID504699662,4-diethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-oneAzepino[2,1-b]quinazolin-12(6H)-one, 2,4-diethoxy-7,8,9,10-tetrahydro-
Database identifiers
- CAS
891197-41-4- PubChem CID
- 11645141
- DTXSID
DTXSID50469966
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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