6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
47281-61-8- Standard SMILES
COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)NCC2- InChIKey
GITFNMZGMQLGOX-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
- IUPAC
- 6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
- English name
- 6,7-DIMETHOXY-1-(4-NITRO-PHENYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
- Molecular formula
- C17H18N2O4
- Molecular weight
- 314.34
Names & synonyms
47281-61-86,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinolineDTXSID00345660RefChem:306188DTXCID902967336,7-Dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolineIsoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4-nitrophenyl)-GITFNMZGMQLGOX-UHFFFAOYSA-NCambridge id 5118440Oprea1_286116Oprea1_397238CBDivE_009962
Show more names
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4-nitrophenyl)-
MLS001211772CHEMBL52842SCHEMBL7852106HMS2827L241-{4-nitrophenyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineSTK753304AKOS000666727AKOS015964595
Database identifiers
- CAS
47281-61-8- PubChem CID
- 606153
- DTXSID
DTXSID00345660- ChEMBL
CHEMBL52842- Nikkaji
- J2.275.187E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
1 records
Compound notes
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