2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline

C19H14F2N2O3 — CID 134180488

IUPAC2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
SMILESCOc1cccc2cc(-c3cc(C)cc4nc(OC(F)F)cnc34)oc12
InChIInChI=1S/C19H14F2N2O3/c1-10-6-12(15-8-11-4-3-5-14(24-2)18(11)25-15)17-13(7-10)23-16(9-22-17)26-19(20)21/h3-9,19H,1-2H3
InChIKeyVXKKYOLEQBFNIL-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.96
Rot. Bonds4

About 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline

2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline (PubChem CID 134180488) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
PubChem CID134180488
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
SMILESCOc1cccc2cc(-c3cc(C)cc4nc(OC(F)F)cnc34)oc12
InChIInChI=1S/C19H14F2N2O3/c1-10-6-12(15-8-11-4-3-5-14(24-2)18(11)25-15)17-13(7-10)23-16(9-22-17)26-19(20)21/h3-9,19H,1-2H3
InChIKeyVXKKYOLEQBFNIL-UHFFFAOYSA-N
XLogP4.96
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline (CID 134180488) is 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline is COc1cccc2cc(-c3cc(C)cc4nc(OC(F)F)cnc34)oc12.
What is the InChIKey of 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The InChIKey is VXKKYOLEQBFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c1-10-6-12(15-8-11-4-3-5-14(24-2)18(11)25-15)17-13(7-10)23-16(9-22-17)26-19(20)21/h3-9,19H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline has a molecular weight of 356.33 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline is sourced from PubChem (CID 134180488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).