Basic information
- Standard SMILES
COc1cc2c(Nc3cc(C(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCCl- InChIKey
MXXJVBCSKIGAQW-UHFFFAOYSA-N- Molecular formula
- C22H20ClFN6O3
- Average molar mass
- 470.9 g/mol
- Monoisotopic mass
- 470.1269444
Names & identifiers
- Preferred name
- 3-{[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino}-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
Names & synonyms
SCHEMBL4286481MXXJVBCSKIGAQW-UHFFFAOYSA-N3-{[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino}-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
Database identifiers
- PubChem CID
- 68987461
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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