1-(5-Tert-butyl-isoxazol-3-yl)-3-(3-{7-[2-(4-hydroxymethyl-piperidin-1-yl)-ethoxy]-6-methoxy-quinazolin-4-yloxy}-phenyl)-urea
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCN1CCC(CO)CC1- InChIKey
UMVVCSSWBLZQDK-UHFFFAOYSA-N- Molecular formula
- C31H38N6O6
- Average molar mass
- 590.7 g/mol
Names & identifiers
- Preferred name
- 1-(5-Tert-butyl-isoxazol-3-yl)-3-(3-{7-[2-(4-hydroxymethyl-piperidin-1-yl)-ethoxy]-6-methoxy-quinazolin-4-yloxy}-phenyl)-urea
- IUPAC
- 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]urea
Names & synonyms
SCHEMBL1012834CHEMBL5779252UMVVCSSWBLZQDK-UHFFFAOYSA-NUS9730937, Example 37BDBM3334951-(5-tert- Butyl- isoxazol-3- yl)-3-(3-{7- [2-(4- hydroxymethyl- piperidin-1-yl)- ethoxy]-6- methoxy- quinazolin-4- yloxy}- phenyl)-urea1-(5-tert-butyl-isoxazol-3-yl)-3-(3-{7-[2-(4-hydroxymethyl-piperidin-1-yl)-ethoxy]-6-methoxy-quinazolin-4-yloxy}-phenyl)-urea
Database identifiers
- PubChem CID
- 44243262
- ChEMBL
CHEMBL5779252
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 870
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…