Basic information
- Standard SMILES
COc1cc2c(Nc3c(Cl)cnc4c3OCO4)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
UTYLTKJPDULIML-UHFFFAOYSA-N- Molecular formula
- C26H30ClN5O6
- Average molar mass
- 544 g/mol
Names & identifiers
- Preferred name
- 7(N-tert-butoxycarbonylpiperidin-4-ylmethoxy)-4-(5-chloro-2,3-methylenedioxypyrid-4-ylamino)-6-methoxyquinazoline
- IUPAC
- tert-butyl 4-[[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3204055UTYLTKJPDULIML-UHFFFAOYSA-N7(N-tert-butoxycarbonylpiperidin-4-ylmethoxy)-4-(5-chloro-2,3-methylenedioxypyrid-4-ylamino)-6-methoxyquinazoline7-(N-tert-butoxycarbonylpiperidin-4-ylmethoxy)-4-(5-chloro-2,3-methylenedioxypyrid-4-ylamino)-6-methoxyquinazoline
Database identifiers
- PubChem CID
- 68548745
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 797
Related reactions
4 records
Linked notes
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