1-(Tert-butoxycarbonyl)-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid
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Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1- InChIKey
QTLBCDZFUFSKEF-UHFFFAOYSA-N- Molecular formula
- C27H31ClFN5O5
- Average molar mass
- 560 g/mol
Names & identifiers
- Preferred name
- 1-(Tert-butoxycarbonyl)-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid
- IUPAC
- 3-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL4441271QTLBCDZFUFSKEF-UHFFFAOYSA-N1-(tert-butoxycarbonyl)-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 69045792
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 865
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Related reactions
4 records
Compound notes
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