Tert-butyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate
Basic information
- CAS
609767-43-3- Standard SMILES
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
LLTCDTSMNWDXIP-UHFFFAOYSA-N- Molecular formula
- C25H28ClFN4O4
- Average molar mass
- 503 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate
- English name
- 6-[(1-tert-butoxycarbonylpiperidin-4-yl)oxy]-4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline
- Molecular formula
- C25H28ClFN4O4
- Molecular weight
- 502.97
Names & synonyms
609767-43-3tert-butyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylatetert-Butyl 4-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidine-1-carboxylateSCHEMBL121894SCHEMBL29623525DB-1951334-[[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester6-[(1-tert-butoxycarbonylpiperidin-4-yl)oxy]-4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline1-Piperidinecarboxylic acid, 4-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
609767-43-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
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