Mls002920108
Basic information
- CAS
58021-73-1- Standard SMILES
COc1ccc(C(=O)N2C=Cc3ccccc3C2C#N)cc1- InChIKey
SNJBFUOPFGABIB-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.10552769
Names & identifiers
- Preferred name
- Mls002920108
- IUPAC
- 2-(4-methoxybenzoyl)-1H-isoquinoline-1-carbonitrile
Names & synonyms
58021-73-1MLS002920108DTXSID30299586RefChem:357252DTXCID202507222-(4-methoxybenzoyl)-1H-isoquinoline-1-carbonitrileSMR0017977051-Isoquinolinecarbonitrile,1,2-dihydro-2-(4-methoxybenzoyl)-NSC1314892-(4-methoxybenzoyl)-1,2-dihydroisoquinoline-1-carbonitrilecid_280099CHEMBL2134376
Show more names
BDBM93550AKOS024378909NSC-1314892-p-anisoyl-1H-isoquinoline-1-carbonitrileST51023705AE-018/318600592-(4-methoxyphenyl)carbonyl-1H-isoquinoline-1-carbonitrile1,2-dihydro-2-(4-methoxybenzoyl)isoquinoline-1-carbonitrile
Database identifiers
- CAS
58021-73-1- PubChem CID
- 280099
- DTXSID
DTXSID30299586- ChEMBL
CHEMBL2134376
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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