7-methoxy-1,4-dimethylisoquinoline

C12H13NO — CID 72544129

IUPAC7-methoxy-1,4-dimethylisoquinoline
SMILESCOc1ccc2c(C)cnc(C)c2c1
InChIInChI=1S/C12H13NO/c1-8-7-13-9(2)12-6-10(14-3)4-5-11(8)12/h4-7H,1-3H3
InChIKeyQQXAMRKASLMXAF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.86
Rot. Bonds1

About 7-methoxy-1,4-dimethylisoquinoline

7-methoxy-1,4-dimethylisoquinoline (PubChem CID 72544129) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 7-methoxy-1,4-dimethylisoquinoline.

Molecular Properties

Compound Name7-methoxy-1,4-dimethylisoquinoline
PubChem CID72544129
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name7-methoxy-1,4-dimethylisoquinoline
SMILESCOc1ccc2c(C)cnc(C)c2c1
InChIInChI=1S/C12H13NO/c1-8-7-13-9(2)12-6-10(14-3)4-5-11(8)12/h4-7H,1-3H3
InChIKeyQQXAMRKASLMXAF-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-4-methylphthalazin-1-amine
CID 170258561
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
4-bromo-6-methoxyisoquinolin-1-amine
CID 84707747
7-methoxy-2,4-dimethylisoquinolin-1-one
CID 115022865
3,6-dimethoxy-1-methylisoquinoline
CID 169285036
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
4-deuterio-8-methoxy-6-methylphenanthridine
CID 175718583
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
3-methoxy-N,2,5-trimethylpyridin-4-amine
CID 143996352
ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
1-chloro-4-ethyl-7-methoxyisoquinoline
CID 115063327

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,4-dimethylisoquinoline?
The IUPAC name of 7-methoxy-1,4-dimethylisoquinoline (CID 72544129) is 7-methoxy-1,4-dimethylisoquinoline.
What is the SMILES notation for 7-methoxy-1,4-dimethylisoquinoline?
The canonical SMILES for 7-methoxy-1,4-dimethylisoquinoline is COc1ccc2c(C)cnc(C)c2c1.
What is the InChIKey of 7-methoxy-1,4-dimethylisoquinoline?
The InChIKey is QQXAMRKASLMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-7-13-9(2)12-6-10(14-3)4-5-11(8)12/h4-7H,1-3H3.
What are the key properties of 7-methoxy-1,4-dimethylisoquinoline?
7-methoxy-1,4-dimethylisoquinoline has a molecular weight of 187.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,4-dimethylisoquinoline is sourced from PubChem (CID 72544129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).