Basic information
- CAS
663930-72-1- Standard SMILES
CC1(C)Cc2ccccc2C(c2cc3ccccc3oc2=O)=N1- InChIKey
OIMSGYTYUKJLEZ-UHFFFAOYSA-N- Molecular formula
- C20H17NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12592879
Names & identifiers
- Preferred name
- 3-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl)-chromen-2-one
- IUPAC
- 3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one
Names & synonyms
3-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl)-chromen-2-one663930-72-1DTXSID10351792RefChem:273969DTXCID40302858MLS000527651SMR0001202253-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2H-chromen-2-one3-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-2H-1-benzopyran-2-oneHMS1487N123-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-oneChemDiv3_005226
Show more names
cid_709474CHEMBL1422205BDBM89830HMS2157K13HMS3317I18CCG-23805STK770399AKOS000671312
Database identifiers
- CAS
663930-72-1- PubChem CID
- 709474
- DTXSID
DTXSID10351792- ChEMBL
CHEMBL1422205
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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