Basic information
- Standard SMILES
COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCCN1CC[C@H](O)C1- InChIKey
FMUNKTAEFMNJMS-FQEVSTJZSA-N- Molecular formula
- C30H36N6O6
- Average molar mass
- 576.6 g/mol
Names & identifiers
- Preferred name
- (S)-1-(5-tert-butylisoxazol-3-yl)-3-(3-(7-(3-(3-hydroxypyrrolidin-1-yl)propoxy)-6-methoxyquinazolin-4-yloxy)phenyl)urea
- IUPAC
- 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-[3-[(3S)-3-hydroxypyrrolidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]urea
Names & synonyms
SCHEMBL1015736CHEMBL5912435FMUNKTAEFMNJMS-FQEVSTJZSA-NUS9730937, Example 33BDBM333491(S)-1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(3-(3- hydroxy- pyrrolidin- 1- yl)propoxy)- 6- methoxy- quinazolin- 4-yloxy) phenyl) urea(S)-1-(5-tert-butylisoxazol-3-yl)-3-(3-(7-(3-(3-hydroxypyrrolidin-1-yl)propoxy)-6-methoxyquinazolin-4-yloxy)phenyl)urea
Database identifiers
- PubChem CID
- 44243222
- ChEMBL
CHEMBL5912435
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 863
Related reactions
3 records
Compound notes
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