2-(Chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one
Basic information
- CAS
743444-30-6- Standard SMILES
COc1cc2nc(CCl)n(CC(C)=O)c(=O)c2cc1OC- InChIKey
KFPGUOHENQBQBS-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O4
- Average molar mass
- 310.73 g/mol
- Monoisotopic mass
- 310.0720347
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one
- IUPAC
- 2-(chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)quinazolin-4-one
- English name
- 2-(Chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)quinazolin-4(3H)-one
- Molecular formula
- C14H15ClN2O4
- Molecular weight
- 310.73
Names & synonyms
743444-30-62-(chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)-3,4-dihydroquinazolin-4-one2-(chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)quinazolin-4(3H)-one2-(chloromethyl)-6,7-dimethoxy-3-(2-oxopropyl)quinazolin-4-oneAKOS000122431EN300-07311G36081Z56968765
Database identifiers
- CAS
743444-30-6- PubChem CID
- 2113259
- EC Number
- 195-475-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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