Basic information
- CAS
5260-41-3- Standard SMILES
CCc1nc2ccccc2c(=O)n1-c1ccccc1- InChIKey
FDLSIWMJFKVWIC-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 2-Ethyl-3-phenylquinazolin-4-one
- IUPAC
- 2-ethyl-3-phenylquinazolin-4-one
- English name
- 2-Ethyl-3-phenyl-3H-quinazolin-4-one
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
2-ethyl-3-phenylquinazolin-4-one5260-41-3DTXSID60352138RefChem:260538DTXCID403032042-ethyl-3-phenylquinazolin-4(3H)-one2-ethyl-3-phenyl-4(3H)-quinazolinone2-ethyl-3-phenyl-3,4-dihydroquinazolin-4-oneephinazone4(3H)-Quinazolinone, 2-ethyl-3-phenyl-Oprea1_074371Oprea1_691001
Show more names
2-Ethyl-3-phenyl-3H-quinazolin-4-one
SCHEMBL8242227CHEMBL22596612-ethyl-3-phenyl-4-quinazoloneCCG-19682AKOS003218649ST0157882-ethyl-3-phenyl-3-hydroquinazolin-4-oneEU-0077110
Database identifiers
- CAS
5260-41-3- PubChem CID
- 719985
- DTXSID
DTXSID60352138- ChEMBL
CHEMBL2259661- Nikkaji
- J3.666.511D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 125 · 125-125.5 °C
- Boiling point
- 407.8 · 407.8±28.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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