5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline

C20H18N2O2 — CID 134181367

IUPAC5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline
SMILESCOC(C)c1cnc2c(-c3cc4ccccc4o3)cc(C)cc2n1
InChIInChI=1S/C20H18N2O2/c1-12-8-15(19-10-14-6-4-5-7-18(14)24-19)20-16(9-12)22-17(11-21-20)13(2)23-3/h4-11,13H,1-3H3
InChIKeyFZDBVFHQJWNSLR-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.06
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline

5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline (PubChem CID 134181367) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline
PubChem CID134181367
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline
SMILESCOC(C)c1cnc2c(-c3cc4ccccc4o3)cc(C)cc2n1
InChIInChI=1S/C20H18N2O2/c1-12-8-15(19-10-14-6-4-5-7-18(14)24-19)20-16(9-12)22-17(11-21-20)13(2)23-3/h4-11,13H,1-3H3
InChIKeyFZDBVFHQJWNSLR-UHFFFAOYSA-N
XLogP5.06
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline (CID 134181367) is 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline is COC(C)c1cnc2c(-c3cc4ccccc4o3)cc(C)cc2n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline?
The InChIKey is FZDBVFHQJWNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-8-15(19-10-14-6-4-5-7-18(14)24-19)20-16(9-12)22-17(11-21-20)13(2)23-3/h4-11,13H,1-3H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline?
5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline has a molecular weight of 318.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline is sourced from PubChem (CID 134181367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).