2-Amino-1,4-dihydro-3(2H)-isoquinolinone
Basic information
- CAS
39113-02-5- Standard SMILES
NN1Cc2ccccc2CC1=O- InChIKey
LQEZHGBVYXDFBJ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 2-Amino-1,4-dihydro-3(2H)-isoquinolinone
- IUPAC
- 2-amino-1,4-dihydroisoquinolin-3-one
Names & synonyms
39113-02-52-Amino-1,4-dihydro-3(2H)-isoquinolinone3(2H)-Isoquinolinone, 1,4-dihydro-2-amino-DTXSID30192361RefChem:1062104DTXCID401148522-amino-1,4-dihydroisoquinolin-3(2h)-one2-amino-1,4-dihydroisoquinolin-3-one3(2H)-Isoquinolinone, 2-amino-1,4-dihydro-MFCD01716992BRN 14524012-Amino-1,4-diidroisochinolin-3(2H)-one [Italian]
Show more names
2-Amino-1,4-diidroisochinolin-3(2H)-one2-amino-1,2,3,4-tetrahydroisoquinolin-3-one5-21-08-00075 (Beilstein Handbook Reference)SCHEMBL13806435BDBM23988N-Substituted dihydro-isoquinolinone, 4dG70213
Database identifiers
- CAS
39113-02-5- PubChem CID
- 217638
- DTXSID
DTXSID30192361- Nikkaji
- J68.855J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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