3-pentoxy-[1]benzofuro[3,2-b]quinoxaline

C19H18N2O2 — CID 57343570

IUPAC3-pentoxy-[1]benzofuro[3,2-b]quinoxaline
SMILESCCCCCOc1ccc2c(c1)oc1nc3ccccc3nc12
InChIInChI=1S/C19H18N2O2/c1-2-3-6-11-22-13-9-10-14-17(12-13)23-19-18(14)20-15-7-4-5-8-16(15)21-19/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyLGJBONZXRKVHSQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.10
Rot. Bonds5

About 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline

3-pentoxy-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 57343570) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name3-pentoxy-[1]benzofuro[3,2-b]quinoxaline
PubChem CID57343570
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-pentoxy-[1]benzofuro[3,2-b]quinoxaline
SMILESCCCCCOc1ccc2c(c1)oc1nc3ccccc3nc12
InChIInChI=1S/C19H18N2O2/c1-2-3-6-11-22-13-9-10-14-17(12-13)23-19-18(14)20-15-7-4-5-8-16(15)21-19/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyLGJBONZXRKVHSQ-UHFFFAOYSA-N
XLogP5.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline (CID 57343570) is 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline is CCCCCOc1ccc2c(c1)oc1nc3ccccc3nc12.
What is the InChIKey of 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is LGJBONZXRKVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-3-6-11-22-13-9-10-14-17(12-13)23-19-18(14)20-15-7-4-5-8-16(15)21-19/h4-5,7-10,12H,2-3,6,11H2,1H3.
What are the key properties of 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline?
3-pentoxy-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 306.37 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 57343570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).