Basic information
- CAS
340-94-3- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1- InChIKey
FRZCXJROWSIXPR-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0559907
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
- IUPAC
- 3-(3-chlorophenyl)-2-methylquinazolin-4-one
- English name
- 3-(3-chlorophenyl)-2-methyl-4(3H)-quinazolinone
- Molecular formula
- C15H11ClN2O
- Molecular weight
- 270.71
Names & synonyms
340-94-34(3H)-Quinazolinone, 3-(m-chlorophenyl)-2-methyl-DTXSID801876063-(3-chlorophenyl)-2-methyl-4(3H)-quinazolinoneRefChem:1066683DTXCID001100973-(3-chlorophenyl)-2-methylquinazolin-4(3H)-one3-(3-chlorophenyl)-2-methylquinazolin-4-oneRo 345BRN 02287393-(m-Chlorophenyl)-2-methyl-4(3H)-quinazolinone2-Methyl-3-(3'-chlorphenyl)-4-chinazolinon [German]
Show more names
4(3H)-Quinazolinone, 3-(3-chlorophenyl)-2-methyl-
2-Methyl-3-(3'-chlorphenyl)-4-chinazolinonSCHEMBL29154635SCHEMBL30726097SCHEMBL30726098AKOS000601445ST50278447SR-01000322316SR-01000322316-1
Database identifiers
- CAS
340-94-3- PubChem CID
- 63111
- DTXSID
DTXSID80187606- Nikkaji
- J3.525.966J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 439.1 · 439.1±47.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.70(Predicted)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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