Basic information
- Standard SMILES
COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc(N)c2cc1OC- InChIKey
HATVRWPBRIORNV-UHFFFAOYSA-N- Molecular formula
- C26H33N5O4
- Average molar mass
- 479.6 g/mol
Names & identifiers
- Preferred name
- 4-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperidin-4-ylamino]-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate
Names & synonyms
CHEMBL143685SCHEMBL8076826HATVRWPBRIORNV-UHFFFAOYSA-N4-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperidin-4-ylamino]-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 9956782
- ChEMBL
CHEMBL143685- Nikkaji
- J1.216.867E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 688
Related reactions
3 records
Compound notes
Loading…