6,7-dimethoxy-1-methylisoquinolin-5-amine

C12H14N2O2 — CID 86217778

IUPAC6,7-dimethoxy-1-methylisoquinolin-5-amine
SMILESCOc1cc2c(C)nccc2c(N)c1OC
InChIInChI=1S/C12H14N2O2/c1-7-9-6-10(15-2)12(16-3)11(13)8(9)4-5-14-7/h4-6H,13H2,1-3H3
InChIKeyRGPXIZABSIOQJC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds2

About 6,7-dimethoxy-1-methylisoquinolin-5-amine

6,7-dimethoxy-1-methylisoquinolin-5-amine (PubChem CID 86217778) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylisoquinolin-5-amine.

Molecular Properties

Compound Name6,7-dimethoxy-1-methylisoquinolin-5-amine
PubChem CID86217778
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6,7-dimethoxy-1-methylisoquinolin-5-amine
SMILESCOc1cc2c(C)nccc2c(N)c1OC
InChIInChI=1S/C12H14N2O2/c1-7-9-6-10(15-2)12(16-3)11(13)8(9)4-5-14-7/h4-6H,13H2,1-3H3
InChIKeyRGPXIZABSIOQJC-UHFFFAOYSA-N
XLogP2.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methylisoquinolin-5-amine?
The IUPAC name of 6,7-dimethoxy-1-methylisoquinolin-5-amine (CID 86217778) is 6,7-dimethoxy-1-methylisoquinolin-5-amine.
What is the SMILES notation for 6,7-dimethoxy-1-methylisoquinolin-5-amine?
The canonical SMILES for 6,7-dimethoxy-1-methylisoquinolin-5-amine is COc1cc2c(C)nccc2c(N)c1OC.
What is the InChIKey of 6,7-dimethoxy-1-methylisoquinolin-5-amine?
The InChIKey is RGPXIZABSIOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-9-6-10(15-2)12(16-3)11(13)8(9)4-5-14-7/h4-6H,13H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylisoquinolin-5-amine?
6,7-dimethoxy-1-methylisoquinolin-5-amine has a molecular weight of 218.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylisoquinolin-5-amine is sourced from PubChem (CID 86217778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).