4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline

C18H12N2O2 — CID 155806764

IUPAC4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)c1cccn12
InChIInChI=1S/C18H12N2O2/c1-2-5-14-13(4-1)19-18(15-6-3-9-20(14)15)12-7-8-16-17(10-12)22-11-21-16/h1-10H,11H2
InChIKeyFSBREUCQDRLQNK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.88
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline

4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 155806764) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID155806764
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)c1cccn12
InChIInChI=1S/C18H12N2O2/c1-2-5-14-13(4-1)19-18(15-6-3-9-20(14)15)12-7-8-16-17(10-12)22-11-21-16/h1-10H,11H2
InChIKeyFSBREUCQDRLQNK-UHFFFAOYSA-N
XLogP3.88
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline (CID 155806764) is 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline is c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)c1cccn12.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is FSBREUCQDRLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-2-5-14-13(4-1)19-18(15-6-3-9-20(14)15)12-7-8-16-17(10-12)22-11-21-16/h1-10H,11H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline?
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 288.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 155806764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).