Basic information
- CAS
38559-35-2- Standard SMILES
Cn1c(=O)nc2n(C)c3ccccc3cc-2c1=O- InChIKey
AKVQGOMYPNAESS-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,10-Dimethyl-5-deazaisoalloxazine
- IUPAC
- 3,10-dimethylpyrimido[4,5-b]quinoline-2,4-dione
- English name
- 3,10-dimethyl-5-deazaisoalloxazine
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
38559-35-2Dmdaia3,10-Dimethyl-5-deazaisoalloxazinePyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 3,10-dimethyl-339W26KQB4NSC-278159DTXSID60191882RefChem:90556DTXCID001143733,10-Dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione3,10-DIMETHYLPYRIMIDO(4,5-B)QUINOLINE-2,4(3H,10H)-DIONE3,10-dimethylpyrimido[4,5-b]quinoline-2,4-dione
Show more names
3,10-Dimethylpyrimido[4,5-b]1,2-dihydroquinolin-2,4-dionePyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 3,10-dimethyl-
NSC 278159UNII-339W26KQB43,10-Dimethyl-pyrimido[4,5-b]1,2-dihydroquinolin-2,4-dioneMFCD16875933NSC278159SY496092DB-2284163,10-Dimethylpyrimido[6,5-b]quinoline-2,4-dione
Database identifiers
- CAS
38559-35-2- PubChem CID
- 100264
- DTXSID
DTXSID60191882- UNII
- 339W26KQB4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- FDA UNII
- 339 W26KQB4 · 339W26KQB4
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…