5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline

C18H12F2N2O2 — CID 134181262

IUPAC5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline
SMILESCc1ccc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc12
InChIInChI=1S/C18H12F2N2O2/c1-10-6-7-12(14-8-11-4-2-3-5-13(11)23-14)17-16(10)22-15(9-21-17)24-18(19)20/h2-9,18H,1H3
InChIKeyQMQUOXTWTKVTAM-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.95
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline

5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline (PubChem CID 134181262) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline
PubChem CID134181262
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline
SMILESCc1ccc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc12
InChIInChI=1S/C18H12F2N2O2/c1-10-6-7-12(14-8-11-4-2-3-5-13(11)23-14)17-16(10)22-15(9-21-17)24-18(19)20/h2-9,18H,1H3
InChIKeyQMQUOXTWTKVTAM-UHFFFAOYSA-N
XLogP4.95
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
5-fluoro-PB-22
CID 72710774
8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
11-Methylfuro[3,2-c][1,10]phenanthroline
CID 44587501
4-Methoxy-11-methylfuro[3,2-c][1,10]phenanthroline
CID 44587502
4-Methoxy(1)benzofuro(3,2-g)pyrrolo(1,2-a)quinoxaline
CID 336017
2-(Difluoromethoxy)-5-(4-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134180298
2-(Difluoromethoxy)-5-(7-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134180488
2-(Difluoromethoxy)-5-(5-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134180943
5-(1-Benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline
CID 134181112
5-Methyl-[1]benzofuro[3,2-b]quinolin-5-ium
CID 11792911
2-(Difluoromethoxy)-5-(6-methoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 177655150

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline (CID 134181262) is 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline is Cc1ccc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc12.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline?
The InChIKey is QMQUOXTWTKVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c1-10-6-7-12(14-8-11-4-2-3-5-13(11)23-14)17-16(10)22-15(9-21-17)24-18(19)20/h2-9,18H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline?
5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-8-methylquinoxaline has a molecular weight of 326.30 g/mol, XLogP of 4.95, 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-(difluoromethoxy)-8-methylquinoxaline is sourced from PubChem (CID 134181262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).