Basic information
- CAS
870959-62-9- Standard SMILES
COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=CC3=O)c2cc1OC- InChIKey
JJWDGFHYXVCNTQ-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O5
- Average molar mass
- 389.8 g/mol
- Monoisotopic mass
- 389.0778483
Names & identifiers
- Preferred name
- 2-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-chloro-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
- English name
- 2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE
- Molecular formula
- C18H16ClN3O5
- Molecular weight
- 389.79
Names & synonyms
870959-62-92-Chloro-5-((6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl)amino)cyclohexa-2,5-diene-1,4-dioneCHEMBL21131662-CHLORO-5-{[6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL]AMINO}CYCLOHEXA-2,5-DIENE-1,4-DIONE2-chloro-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONESCHEMBL5650440DTXSID00469658JJWDGFHYXVCNTQ-UHFFFAOYSA-NBDBM50002449PD1403122-chloro-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone
Database identifiers
- CAS
870959-62-9- PubChem CID
- 11625281
- DTXSID
DTXSID00469658- ChEMBL
CHEMBL2113166
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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