3-Amino-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-propionic acid methyl ester di-hydrochloride salt
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Basic information
- Standard SMILES
COC(=O)CC(N)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)=NO1.Cl.Cl- InChIKey
BFXPJOQEPKVFIE-UHFFFAOYSA-N- Molecular formula
- C24H27Cl2N3O4
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 491.1378617
Names & identifiers
- Preferred name
- 3-Amino-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-propionic acid methyl ester di-hydrochloride salt
- IUPAC
- methyl 3-amino-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoate;dihydrochloride
Names & synonyms
SCHEMBL6023004BFXPJOQEPKVFIE-UHFFFAOYSA-N3-amino-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-propionic acid methyl ester di-hydrochloride salt
Database identifiers
- PubChem CID
- 69639745
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
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Related reactions
2 records
Compound notes
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