Basic information
- CAS
65971-65-5- Standard SMILES
COc1ccc(NCC(=O)Cn2cnc3cc(Cl)c(Cl)cc3c2=O)cc1- InChIKey
HAKAURJTPXKTMN-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O3
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.0490467
Names & identifiers
- Preferred name
- 6,7-Dichloro-3-(3-(4-methoxy-phenylamino)-2-oxo-propyl)-3H-quinazolin-4-one
- IUPAC
- 6,7-dichloro-3-[3-(4-methoxyanilino)-2-oxopropyl]quinazolin-4-one
Names & synonyms
AKOS0243263836,7-DICHLORO-3-(3-(4-METHOXY-PHENYLAMINO)-2-OXO-PROPYL)-3H-QUINAZOLIN-4-ONE
Database identifiers
- CAS
65971-65-5- PubChem CID
- 5236366
- EC Number
- 163-059-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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