10a,12a-Dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinoline-2,8-dione
Basic information
- CAS
1600-81-3- Standard SMILES
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC(=O)N2- InChIKey
IRHRXMLIAVVPHC-UHFFFAOYSA-N- Molecular formula
- C19H27NO2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.2041791
Names & identifiers
- Preferred name
- 10a,12a-Dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinoline-2,8-dione
- IUPAC
- 10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinoline-2,8-dione
Names & synonyms
10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinoline-2,8-dione1600-81-3NSC136994DTXSID20300433NSC-136994
Database identifiers
- CAS
1600-81-3- PubChem CID
- 282893
- DTXSID
DTXSID20300433
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 566
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Compound notes
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