Basic information
- Standard SMILES
Cc1ccc2c(N3CCN(C(=O)OCc4ccccc4)CC3CO)nc(-c3ccccc3O)nc2c1.Cl- InChIKey
AZPUTBCNSQJFSJ-UHFFFAOYSA-N- Molecular formula
- C28H29ClN4O4
- Average molar mass
- 521 g/mol
- Monoisotopic mass
- 520.1877331
Names & identifiers
- Preferred name
- Benzyl 3-(hydroxymethyl)-4-(2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl)piperazine-1-carboxylate hydrochloride
- IUPAC
- benzyl 3-(hydroxymethyl)-4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
SCHEMBL1622253AZPUTBCNSQJFSJ-UHFFFAOYSA-Nbenzyl 3-(hydroxymethyl)-4-(2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl)piperazine-1-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 136366705
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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