Glycine, N-(4-methoxyphenyl)-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester
Basic information
- CAS
110009-16-0- Standard SMILES
COc1ccc(NCC(=O)OCCn2c(C)nc3c(Br)cc(Br)cc3c2=O)cc1- InChIKey
CNYOXBWJBKCCJB-UHFFFAOYSA-N- Molecular formula
- C20H19Br2N3O4
- Average molar mass
- 525.2 g/mol
- Monoisotopic mass
- 522.97423
Names & identifiers
- Preferred name
- Glycine, N-(4-methoxyphenyl)-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester
- IUPAC
- 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-methoxyanilino)acetate
- English name
- beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl p-an isidinoacetate
- Molecular formula
- C20H19Br2N3O4
- Molecular weight
- 525.19
Names & synonyms
110009-16-0Glycine, N-(4-methoxyphenyl)-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl esterN-(4-Methoxyphenyl)glycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl esterDTXSID50149110beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl p-anisidinoacetateRefChem:346505DTXCID20716012-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(4-methoxyanilino)acetate2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4h)-yl)ethyl n-(4-methoxyphenyl)glycinate2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl2-(4-methoxyanilino)acetatebeta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl p-an isidinoacetate
Database identifiers
- CAS
110009-16-0- PubChem CID
- 60394
- DTXSID
DTXSID50149110
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Boiling point
- 650.7 · 650.7±65.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.50(Predicted)
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Compound notes
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