7-bromo-6-methoxy-1-methylisoquinoline

C11H10BrNO — CID 84707562

IUPAC7-bromo-6-methoxy-1-methylisoquinoline
SMILESCOc1cc2ccnc(C)c2cc1Br
InChIInChI=1S/C11H10BrNO/c1-7-9-6-10(12)11(14-2)5-8(9)3-4-13-7/h3-6H,1-2H3
InChIKeyNYACWLFLEHSJSS-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 7-bromo-6-methoxy-1-methylisoquinoline

7-bromo-6-methoxy-1-methylisoquinoline (PubChem CID 84707562) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 7-bromo-6-methoxy-1-methylisoquinoline.

Molecular Properties

Compound Name7-bromo-6-methoxy-1-methylisoquinoline
PubChem CID84707562
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name7-bromo-6-methoxy-1-methylisoquinoline
SMILESCOc1cc2ccnc(C)c2cc1Br
InChIInChI=1S/C11H10BrNO/c1-7-9-6-10(12)11(14-2)5-8(9)3-4-13-7/h3-6H,1-2H3
InChIKeyNYACWLFLEHSJSS-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethoxy-1-methylisoquinoline
CID 20725
1,6,7-trimethylisoquinoline
CID 138751801
6-bromo-1-methylisoquinoline
CID 74889121
7-bromo-6-methoxyquinoline
CID 14566897
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
1,7-dimethylisoquinoline
CID 59050335
1,6-dimethylisoquinoline;ethane
CID 156751069
6,7-dimethoxy-1-methylisoquinolin-5-amine
CID 86217778
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
7-fluoro-6-methoxyisoquinolin-1-amine
CID 82276421
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-1-methylisoquinoline?
The IUPAC name of 7-bromo-6-methoxy-1-methylisoquinoline (CID 84707562) is 7-bromo-6-methoxy-1-methylisoquinoline.
What is the SMILES notation for 7-bromo-6-methoxy-1-methylisoquinoline?
The canonical SMILES for 7-bromo-6-methoxy-1-methylisoquinoline is COc1cc2ccnc(C)c2cc1Br.
What is the InChIKey of 7-bromo-6-methoxy-1-methylisoquinoline?
The InChIKey is NYACWLFLEHSJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-9-6-10(12)11(14-2)5-8(9)3-4-13-7/h3-6H,1-2H3.
What are the key properties of 7-bromo-6-methoxy-1-methylisoquinoline?
7-bromo-6-methoxy-1-methylisoquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-1-methylisoquinoline is sourced from PubChem (CID 84707562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).