Basic information
- Standard SMILES
CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4cc(OCCCNS(C)(=O)=O)ccc34)CC2)cc1- InChIKey
IOGDOXQLXQMKMD-UHFFFAOYSA-N- Molecular formula
- C27H35N5O5S
- Average molar mass
- 541.7 g/mol
- Monoisotopic mass
- 541.23589041
Names & identifiers
- Preferred name
- 4-[7-(3-Methanesulfonylamino-propoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
- IUPAC
- 4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
Names & synonyms
SCHEMBL12048956IOGDOXQLXQMKMD-UHFFFAOYSA-N4-[7-(3-Methanesulfonylamino-propoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
Database identifiers
- PubChem CID
- 58770658
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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