Basic information
- CAS
88514-46-9- Standard SMILES
O=c1c2cc(Br)ccc2ncn1Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12- InChIKey
KZIOIHAOXMSMLJ-UHFFFAOYSA-N- Molecular formula
- C23H15BrClN3O
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 463.0087
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-3-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-
- IUPAC
- 6-bromo-3-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Names & synonyms
88514-46-94(3H)-Quinazolinone, 6-bromo-3-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-6-Bromo-3-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-4(3H)-quinazolinoneDTXSID80237099RefChem:284258DTXCID301595906-Bromo-3-{[2-(4-chlorophenyl)-1H-indol-3-yl]methyl}quinazolin-4(3H)-one
Database identifiers
- CAS
88514-46-9- PubChem CID
- 63305
- DTXSID
DTXSID80237099
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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