3,6-dimethoxy-1-methylisoquinoline

C12H13NO2 — CID 169285036

IUPAC3,6-dimethoxy-1-methylisoquinoline
SMILESCOc1ccc2c(C)nc(OC)cc2c1
InChIInChI=1S/C12H13NO2/c1-8-11-5-4-10(14-2)6-9(11)7-12(13-8)15-3/h4-7H,1-3H3
InChIKeyAFUYGYVCKSZUCM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.56
Rot. Bonds2

About 3,6-dimethoxy-1-methylisoquinoline

3,6-dimethoxy-1-methylisoquinoline (PubChem CID 169285036) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3,6-dimethoxy-1-methylisoquinoline.

Molecular Properties

Compound Name3,6-dimethoxy-1-methylisoquinoline
PubChem CID169285036
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3,6-dimethoxy-1-methylisoquinoline
SMILESCOc1ccc2c(C)nc(OC)cc2c1
InChIInChI=1S/C12H13NO2/c1-8-11-5-4-10(14-2)6-9(11)7-12(13-8)15-3/h4-7H,1-3H3
InChIKeyAFUYGYVCKSZUCM-UHFFFAOYSA-N
XLogP2.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-3-(trifluoromethyl)isoquinoline
CID 154488566
1-bromo-6-methoxy-3-methylisoquinoline
CID 165441613
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1-(7-methoxy-4-methylquinazolin-2-yl)ethanamine
CID 105471322
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
1-chloro-6-methoxy-3-propoxyisoquinoline
CID 25243050
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
1,2-bis(7-methoxy-3-methylisoquinolin-1-yl)hydrazine
CID 10407059
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
7-methoxy-2-methylbenzo[g][1]benzothiole
CID 5260119
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-1-methylisoquinoline?
The IUPAC name of 3,6-dimethoxy-1-methylisoquinoline (CID 169285036) is 3,6-dimethoxy-1-methylisoquinoline.
What is the SMILES notation for 3,6-dimethoxy-1-methylisoquinoline?
The canonical SMILES for 3,6-dimethoxy-1-methylisoquinoline is COc1ccc2c(C)nc(OC)cc2c1.
What is the InChIKey of 3,6-dimethoxy-1-methylisoquinoline?
The InChIKey is AFUYGYVCKSZUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-11-5-4-10(14-2)6-9(11)7-12(13-8)15-3/h4-7H,1-3H3.
What are the key properties of 3,6-dimethoxy-1-methylisoquinoline?
3,6-dimethoxy-1-methylisoquinoline has a molecular weight of 203.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-1-methylisoquinoline is sourced from PubChem (CID 169285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).