Basic information
- CAS
34963-48-9- Standard SMILES
CCN(CC)CCN1c2ccccc2C(=O)N(c2ccccc2C)C1C.O=C(O)C(=O)O- InChIKey
HWLVSZHFUMLWMP-UHFFFAOYSA-N- Molecular formula
- C24H31N3O5
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.2263711
Names & identifiers
- Preferred name
- 4-Quinazolinone, 1,2,3,4-tetrahydro-1-diethylaminoethyl-2-methyl-3-(o-tolyl)-, oxalate
- IUPAC
- 1-[2-(diethylamino)ethyl]-2-methyl-3-(2-methylphenyl)-2H-quinazolin-4-one;oxalic acid
Names & synonyms
34963-48-91-Diethylaminoethyl-2-methyl-1,2,3,4-tetrahydro-3-(o-tolyl)-4-quinazolinone oxalate4(3H)-Quinazolinone, 2,3-dihydro-1-diethylaminoethyl-2-methyl-3-(o-tolyl)-, oxalate4-Quinazolinone, 1,2,3,4-tetrahydro-1-diethylaminoethyl-2-methyl-3-(o-tolyl)-, oxalateRefChem:296218DTXSID90956421Oxalic acid--1-[2-(diethylamino)ethyl]-2-methyl-3-(2-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one (1/1)
Database identifiers
- CAS
34963-48-9- PubChem CID
- 63442
- DTXSID
DTXSID90956421
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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