5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline

C17H13NO2 — CID 11436978

IUPAC5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline
SMILESCc1c2c(c(C)c3cnccc13)Oc1ccccc1O2
InChIInChI=1S/C17H13NO2/c1-10-12-7-8-18-9-13(12)11(2)17-16(10)19-14-5-3-4-6-15(14)20-17/h3-9H,1-2H3
InChIKeyGOLRTZAKBMGUEZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.75
Rot. Bonds

About 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline

5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline (PubChem CID 11436978) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline
PubChem CID11436978
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline
SMILESCc1c2c(c(C)c3cnccc13)Oc1ccccc1O2
InChIInChI=1S/C17H13NO2/c1-10-12-7-8-18-9-13(12)11(2)17-16(10)19-14-5-3-4-6-15(14)20-17/h3-9H,1-2H3
InChIKeyGOLRTZAKBMGUEZ-UHFFFAOYSA-N
XLogP4.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4680
Berberine
CID 2353
Papaverine Hydrochloride
CID 6084
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CID 3280
Ethaverine Hydrochloride
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Palmatine
CID 19009
Columbamine
CID 72310
Palmatine Chloride
CID 73442
Coralyne chloride
CID 23306
Jatrorrhizine
CID 72323
Octaverine
CID 68363
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline?
The IUPAC name of 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline (CID 11436978) is 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline.
What is the SMILES notation for 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline?
The canonical SMILES for 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline is Cc1c2c(c(C)c3cnccc13)Oc1ccccc1O2.
What is the InChIKey of 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline?
The InChIKey is GOLRTZAKBMGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-10-12-7-8-18-9-13(12)11(2)17-16(10)19-14-5-3-4-6-15(14)20-17/h3-9H,1-2H3.
What are the key properties of 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline?
5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline has a molecular weight of 263.30 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-[1,4]benzodioxino[2,3-g]isoquinoline is sourced from PubChem (CID 11436978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).