3,7-dimethylisoquinoline-6,8-diol

C11H11NO2 — CID 137277383

IUPAC3,7-dimethylisoquinoline-6,8-diol
SMILESCc1cc2cc(O)c(C)c(O)c2cn1
InChIInChI=1S/C11H11NO2/c1-6-3-8-4-10(13)7(2)11(14)9(8)5-12-6/h3-5,13-14H,1-2H3
InChIKeyBKLWFSIIGMVQHX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.26
Rot. Bonds

About 3,7-dimethylisoquinoline-6,8-diol

3,7-dimethylisoquinoline-6,8-diol (PubChem CID 137277383) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3,7-dimethylisoquinoline-6,8-diol.

Molecular Properties

Compound Name3,7-dimethylisoquinoline-6,8-diol
PubChem CID137277383
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3,7-dimethylisoquinoline-6,8-diol
SMILESCc1cc2cc(O)c(C)c(O)c2cn1
InChIInChI=1S/C11H11NO2/c1-6-3-8-4-10(13)7(2)11(14)9(8)5-12-6/h3-5,13-14H,1-2H3
InChIKeyBKLWFSIIGMVQHX-UHFFFAOYSA-N
XLogP2.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7,8-trimethylisoquinoline
CID 155669978
2-methylnaphthalene-1,3,7-triol
CID 159488157
2-methyl-6-methylsulfonylnaphthalene-1,3-diol
CID 174311732
(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
CID 139587252
5-bromo-3-methylisoquinolin-6-ol
CID 171085005
6,8-dimethoxy-3-methylisoquinoline
CID 134913416
azane;3,8-dimethylisoquinoline
CID 175090064
2,9-dimethyl-3,8-phenanthroline
CID 132510988
7,8-difluoro-3-methylisoquinoline
CID 169499830
1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
CID 169409378
3,7-dimethyl-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-8-amine
CID 146499241
3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
CID 58047399

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylisoquinoline-6,8-diol?
The IUPAC name of 3,7-dimethylisoquinoline-6,8-diol (CID 137277383) is 3,7-dimethylisoquinoline-6,8-diol.
What is the SMILES notation for 3,7-dimethylisoquinoline-6,8-diol?
The canonical SMILES for 3,7-dimethylisoquinoline-6,8-diol is Cc1cc2cc(O)c(C)c(O)c2cn1.
What is the InChIKey of 3,7-dimethylisoquinoline-6,8-diol?
The InChIKey is BKLWFSIIGMVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-3-8-4-10(13)7(2)11(14)9(8)5-12-6/h3-5,13-14H,1-2H3.
What are the key properties of 3,7-dimethylisoquinoline-6,8-diol?
3,7-dimethylisoquinoline-6,8-diol has a molecular weight of 189.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylisoquinoline-6,8-diol is sourced from PubChem (CID 137277383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).