6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline

C23H18N2O2 — CID 138983738

IUPAC6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline
SMILESCc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O2/c1-14-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)24-22(23(14)25)15-10-11-20-21(12-15)27-13-26-20/h2-12,22,24H,13H2,1H3
InChIKeyRKRYASQLPIABAR-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.18
Rot. Bonds1

About 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline

6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline (PubChem CID 138983738) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline
PubChem CID138983738
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline
SMILESCc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O2/c1-14-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)24-22(23(14)25)15-10-11-20-21(12-15)27-13-26-20/h2-12,22,24H,13H2,1H3
InChIKeyRKRYASQLPIABAR-UHFFFAOYSA-N
XLogP5.18
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline (CID 138983738) is 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline is Cc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc2c(c1)OCO2.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline?
The InChIKey is RKRYASQLPIABAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-14-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)24-22(23(14)25)15-10-11-20-21(12-15)27-13-26-20/h2-12,22,24H,13H2,1H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline?
6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline has a molecular weight of 354.41 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline is sourced from PubChem (CID 138983738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).