4-Quinazolinone, 1,2,3,4-tetrahydro-1-diethylaminoethyl-2-methyl-3-phenyl-, oxalate
Basic information
- CAS
17617-13-9- Standard SMILES
CCN(CC)CCN1c2ccccc2C(=O)N(c2ccccc2)C1C.O=C(O)C(=O)O- InChIKey
FTEZGCVVKXCUQX-UHFFFAOYSA-N- Molecular formula
- C23H29N3O5
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.21072103
Names & identifiers
- Preferred name
- 4-Quinazolinone, 1,2,3,4-tetrahydro-1-diethylaminoethyl-2-methyl-3-phenyl-, oxalate
- IUPAC
- 1-[2-(diethylamino)ethyl]-2-methyl-3-phenyl-2H-quinazolin-4-one;oxalic acid
Names & synonyms
17617-13-91-Diethylaminoethyl-2-methyl-3-phenyl-1,2,3,4-tetrahydro-4-quinazolinone4(3H)-Quinazolinone, 2,3-dihydro-1-diethylaminoethyl-2-methyl-3-phenyl-, oxalate4-Quinazolinone, 1,2,3,4-tetrahydro-1-diethylaminoethyl-2-methyl-3-phenyl-, oxalateRefChem:296219DTXSID70938765Oxalic acid--1-[2-(diethylamino)ethyl]-2-methyl-3-phenyl-2,3-dihydroquinazolin-4(1H)-one (1/1)
Database identifiers
- CAS
17617-13-9- PubChem CID
- 63741
- DTXSID
DTXSID70938765
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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