7-bromo-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
Basic information
- CAS
26908-30-5- Standard SMILES
O=C(O)c1c2cc(Br)ccc2nc2[nH]c(=O)[nH]c(=O)c12- InChIKey
XCDLDUNJQMCHPP-UHFFFAOYSA-N- Molecular formula
- C12H6BrN3O4
- Average molar mass
- 336.1 g/mol
- Monoisotopic mass
- 334.95417
Names & identifiers
- Preferred name
- 7-bromo-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
- IUPAC
- 7-bromo-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
Names & synonyms
MLS00269510426908-30-5NSC92267NCIOpen2_009986CHEMBL1870048DTXSID80418886HMS3079M21NSC-92267SMR0015610167-Bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-5-carboxylic acid
Database identifiers
- CAS
26908-30-5- PubChem CID
- 5380348
- DTXSID
DTXSID80418886- ChEMBL
CHEMBL1870048
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 472
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…