4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol

C16H18N2O3 — CID 90809756

IUPAC4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCc1ncccc1-n1c(O)c2c(c1O)C1(C)CCC2(C)O1
InChIInChI=1S/C16H18N2O3/c1-9-10(5-4-8-17-9)18-13(19)11-12(14(18)20)16(3)7-6-15(11,2)21-16/h4-5,8,19-20H,6-7H2,1-3H3
InChIKeyJSENBVQELAUEQE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds1

About 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol

4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (PubChem CID 90809756) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
PubChem CID90809756
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCc1ncccc1-n1c(O)c2c(c1O)C1(C)CCC2(C)O1
InChIInChI=1S/C16H18N2O3/c1-9-10(5-4-8-17-9)18-13(19)11-12(14(18)20)16(3)7-6-15(11,2)21-16/h4-5,8,19-20H,6-7H2,1-3H3
InChIKeyJSENBVQELAUEQE-UHFFFAOYSA-N
XLogP2.85
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (CID 90809756) is 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is Cc1ncccc1-n1c(O)c2c(c1O)C1(C)CCC2(C)O1.
What is the InChIKey of 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The InChIKey is JSENBVQELAUEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-10(5-4-8-17-9)18-13(19)11-12(14(18)20)16(3)7-6-15(11,2)21-16/h4-5,8,19-20H,6-7H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol has a molecular weight of 286.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 90809756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).