Basic information
- CAS
1897-87-6- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1F- InChIKey
GSTFOVILIDDZER-UHFFFAOYSA-N- Molecular formula
- C15H11FN2O
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.08554114
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(2-fluorophenyl)-2-methyl-
- IUPAC
- 3-(2-fluorophenyl)-2-methylquinazolin-4-one
- English name
- 3-(2-Fluorophenyl)-2-Methylquinazolin-4-one
- Molecular formula
- C15H11FN2O
- Molecular weight
- 254.26
Names & synonyms
1897-87-6B 227BRN 08005714(3H)-Quinazolinone, 3-(2-fluorophenyl)-2-methyl-2-Methyl-3-(2-fluorophenyl)-4(3H)-quinazolinone2-Methyl-3-(2'-fluorphenyl)chinazolinone-(4) [German]DTXSID201723942-Methyl-3-(2'-fluorphenyl)chinazolinone-(4)5-24-03-00130 (Beilstein Handbook Reference)RefChem:284011DTXCID80948853-(2-fluorophenyl)-2-methylquinazolin-4-one
Show more names
3-(2-fluorophenyl)-2-methylquinazolin-4(3H)-one
3-(2-Fluorophenyl)-2-methyl-4(3H)-quinazolinoneNSC6341723-(2-fluorophenyl)-2-methyl-3,4-dihydroquinazolin-4-one3-(2-fluorophenyl)-2-methyl-quinazolin-4-oneCHEMBL1971887SCHEMBL16596956MFCD01686030NSC-634172
Database identifiers
- CAS
1897-87-6- PubChem CID
- 63371
- DTXSID
DTXSID20172394- ChEMBL
CHEMBL1971887- Nikkaji
- J3.729.404G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 392.7 · 392.7±44.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 1.5 · 1.50±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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