4(3H)-Quinazolinone, 7-chloro-3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-
Basic information
- CAS
27945-53-5- Standard SMILES
Cc1cc(-n2c(C)nc3cc(Cl)ccc3c2=O)cc(C)c1O- InChIKey
LIMWHHPFZIKHRE-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 7-chloro-3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-
- IUPAC
- 7-chloro-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Names & synonyms
27945-53-5BRN 0818387SRC-6814(3H)-Quinazolinone, 7-chloro-3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-DTXSID501822244(3H)-Quinazolinone, 7-chloro-3-(4-hydroxy-3,5-xylyl)-2-methyl-5-24-03-00189 (Beilstein Handbook Reference)RefChem:284330DTXCID601047154(3H)-Quinazolinone, 7-chloro-3-(4-hydroxy-3,5-xylyl)-2-methyl-(8CI)7-Chloro-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4(3H)-one7-chloro-3-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
Database identifiers
- CAS
27945-53-5- PubChem CID
- 63435
- DTXSID
DTXSID50182224
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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