Basic information
- Standard SMILES
CC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(Oc6ccc(C)nc6)c(C)c5)c4c3)OC2C1- InChIKey
QYTXQGUDLADZAW-UHFFFAOYSA-N- Molecular formula
- C28H27N7O3
- Average molar mass
- 509.6 g/mol
Names & identifiers
- Preferred name
- 1-(2-{4-[3-Methyl-4-(6-methylpyridin-3-yloxy)-phenylamino]-quinazolin-6-ylamino}-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl)-ethanone
- IUPAC
- 1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
Names & synonyms
SCHEMBL2483226QYTXQGUDLADZAW-UHFFFAOYSA-N1-(2-{4-[3-Methyl-4-(6-methylpyridin-3-yloxy)-phenylamino]-quinazolin-6-ylamino}-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl)-ethanone
Database identifiers
- PubChem CID
- 11670684
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 873
Related reactions
3 records
Compound notes
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