4a-Bromo-8-methoxy-1,4a,5,10a-tetrahydropyrimido[5,4-b]quinoline-2,4,10(3H)-trione
Basic information
- CAS
6964-59-6- Standard SMILES
COc1ccc2c(c1)C(=O)C1NC(=O)NC(=O)C1(Br)N2- InChIKey
UJLFLYWTLKFEKF-UHFFFAOYSA-N- Molecular formula
- C12H10BrN3O4
- Average molar mass
- 340.13 g/mol
- Monoisotopic mass
- 338.98547
Names & identifiers
- Preferred name
- 4a-Bromo-8-methoxy-1,4a,5,10a-tetrahydropyrimido[5,4-b]quinoline-2,4,10(3H)-trione
- IUPAC
- 4a-bromo-8-methoxy-5,10a-dihydro-1H-pyrimido[5,4-b]quinoline-2,4,10-trione
Names & synonyms
6964-59-64a-Bromo-8-methoxy-1,4a,5,10a-tetrahydropyrimido[5,4-b]quinoline-2,4,10(3H)-trione4a-bromo-8-methoxy-5,10a-dihydro-1H-pyrimido[5,4-b]quinoline-2,4,10-trioneNSC66695NSC 66695MLS0026935854a-Bromo-8-methoxy-1,4a,5,10a-tetrahydropyrimido(5,4-b)quinoline-2,4,10(3H)-trioneNCIOpen2_008343C12H10BrN3O4CHEMBL1867617DTXSID70989752HMS3085J08
Show more names
MFCD01939909NSC-66695SMR001559532DS-0123914a-Bromo-2,4-dihydroxy-8-methoxy-4a,10a-dihydropyrimido[5,4-b]quinolin-10(5H)-onePyrimido[5,4-b]quinoline-2,4,10(3h)-trione,4a-bromo-1,4a,5,10a-tetrahydro-8-methoxy-
Database identifiers
- CAS
6964-59-6- PubChem CID
- 248969
- DTXSID
DTXSID70989752- ChEMBL
CHEMBL1867617
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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