2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline

C25H18F2N2O3 — CID 134181155

IUPAC2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline
SMILESCc1cc(-c2cc3cc(OCc4ccccc4)ccc3o2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C25H18F2N2O3/c1-15-9-19(24-20(10-15)29-23(13-28-24)32-25(26)27)22-12-17-11-18(7-8-21(17)31-22)30-14-16-5-3-2-4-6-16/h2-13,25H,14H2,1H3
InChIKeyLPIXQYVNKBLZRQ-UHFFFAOYSA-N
MW432.43 g/mol
LogP6.53
Rot. Bonds6

About 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline

2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline (PubChem CID 134181155) has the molecular formula C25H18F2N2O3 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline
PubChem CID134181155
Molecular FormulaC25H18F2N2O3
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline
SMILESCc1cc(-c2cc3cc(OCc4ccccc4)ccc3o2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C25H18F2N2O3/c1-15-9-19(24-20(10-15)29-23(13-28-24)32-25(26)27)22-12-17-11-18(7-8-21(17)31-22)30-14-16-5-3-2-4-6-16/h2-13,25H,14H2,1H3
InChIKeyLPIXQYVNKBLZRQ-UHFFFAOYSA-N
XLogP6.53
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline?
The IUPAC name of 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline (CID 134181155) is 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline is Cc1cc(-c2cc3cc(OCc4ccccc4)ccc3o2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline?
The InChIKey is LPIXQYVNKBLZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O3/c1-15-9-19(24-20(10-15)29-23(13-28-24)32-25(26)27)22-12-17-11-18(7-8-21(17)31-22)30-14-16-5-3-2-4-6-16/h2-13,25H,14H2,1H3.
What are the key properties of 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline?
2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline has a molecular weight of 432.43 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline is sourced from PubChem (CID 134181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).