Basic information
- Standard SMILES
CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cc(F)c(-c6cccnc6)cc5n4)cc3)cc2)CC1- InChIKey
WDUXGHXBDIMRQO-UHFFFAOYSA-N- Molecular formula
- C36H35FN8O3
- Average molar mass
- 646.7 g/mol
Names & identifiers
- Preferred name
- 1-[4(6-Fluoro-4-morpholin-4-yl-7-pyridin-3-yl-quinazolin-2-yl)-phenyl]-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea
- IUPAC
- 1-[4-(6-fluoro-4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
Names & synonyms
SCHEMBL2726347WDUXGHXBDIMRQO-UHFFFAOYSA-N1-[4(6-Fluoro-4-morpholin-4-yl-7-pyridin-3-yl-quinazolin-2-yl)-phenyl]-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea
Database identifiers
- PubChem CID
- 57334875
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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