1-Chloro-6-methoxy-7-methylisoquinoline

HCID 53782880
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Basic information

CAS
209286-03-3
Standard SMILES
COc1cc2ccnc(Cl)c2cc1C
InChIKey
DWMRLGYYUGVOEO-UHFFFAOYSA-N
Molecular formula
C11H10ClNO
Average molar mass
207.65 g/mol
Monoisotopic mass
207.04509162

Names & identifiers

Preferred name
1-Chloro-6-methoxy-7-methylisoquinoline
IUPAC
1-chloro-6-methoxy-7-methylisoquinoline
English name
1-CHLORO-6-METHOXY-7-METHYLISOQUINOLINE
Molecular formula
C11H10ClNO
Molecular weight
207.66

Names & synonyms

1-CHLORO-6-METHOXY-7-METHYLISOQUINOLINE209286-03-31-chloro-6-methoxy-7-methyl-isoquinolineSCHEMBL1205625DWMRLGYYUGVOEO-UHFFFAOYSA-NDTXSID001278337AB63903DB-191108Isoquinoline, 1-chloro-6-methoxy-7-methyl-

Database identifiers

CAS
209286-03-3
PubChem CID
53782880
DTXSID
DTXSID001278337

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
320 · 320.0±37.0 °C(Predicted)
Density
1.228 · 1.228±0.06 g/cm3(Predicted)
pka
3.02 · 3.02±0.40(Predicted)

Chemistry & industry

Suppliers1 total

Roshel Laboratories[email protected]

Related reactions

6 records
New reaction record

Compound notes

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