3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester

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Basic information

CAS: 40889-51-8
Standard SMILES: CCOC(=O)Cn1c(C)nc2c(Cl)cc(Cl)cc2c1=O
InChIKey: NCYTZCGBTBEVTP-UHFFFAOYSA-N
Molecular formula: C13H12Cl2N2O3
Average molar mass: 315.15 g/mol
Monoisotopic mass: 314.0224976

Names & identifiers

Preferred name: 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester
IUPAC: ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetate

Names & synonyms

BRN 08932443(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester40889-51-8DTXSID801938685-24-03-00196 (Beilstein Handbook Reference)6,8-Dichloro-2-methyl-4-oxo-3(4H)-quinazolineacetic acid ethyl esterRefChem:269730DTXCID20116359Ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetateethyl 2-(6,8-dichloro-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetateEthyl (6,8-dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate

Database identifiers

CAS: 40889-51-8
PubChem CID: 218592
DTXSID: DTXSID80193868

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 59 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 441

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Compound notes

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