Basic information
- CAS
22367-12-0- Standard SMILES
O=C1Cc2ccccc2C(=O)N1c1cccc(Cl)c1- InChIKey
YILPTMFWSYOSGN-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.0400063
Names & identifiers
- Preferred name
- 4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-
- IUPAC
- 2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione
- English name
- 2-(3-Chloro-phenyl)-4H-isoquinoline-1,3-dione
- Molecular formula
- C15H10ClNO2
- Molecular weight
- 0
Names & synonyms
22367-12-02-(3-Chlorophenyl)-4H-isoquinoline-1,3-dione4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-DTXSID10176902RefChem:297603DTXCID70993932-(3-Chlorophenyl)isoquinoline-1,3(2H,4H)-dione2-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione2-(3-chloro-phenyl)-4h-isoquinoline-1,3-dioneCHEMBL1325326SCHEMBL30569987YILPTMFWSYOSGN-UHFFFAOYSA-N
Show more names
HMS1722N03HMS2888M20AKOS027379238CCG-276436EBC-144074NCGC00245967-01EN300-01491SR-01000040085
Database identifiers
- CAS
22367-12-0- PubChem CID
- 185484
- DTXSID
DTXSID10176902- ChEMBL
CHEMBL1325326- Nikkaji
- J805.400B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Solubility>40.8 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
Related reactions
1 records
Compound notes
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