2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline

C20H16F2N2O4 — CID 134181058

IUPAC2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
SMILESCOc1ccc2oc(-c3cc(C)cc4nc(OC(F)F)cnc34)cc2c1OC
InChIInChI=1S/C20H16F2N2O4/c1-10-6-11(18-13(7-10)24-17(9-23-18)28-20(21)22)16-8-12-14(27-16)4-5-15(25-2)19(12)26-3/h4-9,20H,1-3H3
InChIKeyJAQTUHREATYMIK-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.97
Rot. Bonds5

About 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline

2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline (PubChem CID 134181058) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
PubChem CID134181058
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Name2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
SMILESCOc1ccc2oc(-c3cc(C)cc4nc(OC(F)F)cnc34)cc2c1OC
InChIInChI=1S/C20H16F2N2O4/c1-10-6-11(18-13(7-10)24-17(9-23-18)28-20(21)22)16-8-12-14(27-16)4-5-15(25-2)19(12)26-3/h4-9,20H,1-3H3
InChIKeyJAQTUHREATYMIK-UHFFFAOYSA-N
XLogP4.97
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-5-(3-fluoro-4-methoxyphenyl)-7-methylquinoxaline
CID 135271889
2-[(3S)-8-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2,3-dihydrofuro[2,3-h][1,4]benzodioxin-3-yl]ethynol
CID 163823302
2-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1-benzofuran-5-yl]oxy]-N-methylethanamine
CID 134180505
2-(difluoromethoxy)-7-methyl-5-(5-phenylmethoxy-1-benzofuran-2-yl)quinoxaline
CID 134181155
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
CID 134175498
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-4-yl-1,3-thiazole
CID 134175452
2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
CID 126509096
2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
CID 137300952
2-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-2-yl-7-methylquinoxaline
CID 134180752
4-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-2-(trifluoromethyl)benzaldehyde
CID 135275514
5-(1-benzofuran-2-yl)-2-(1-methoxyethyl)-7-methylquinoxaline
CID 134181367

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline (CID 134181058) is 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline is COc1ccc2oc(-c3cc(C)cc4nc(OC(F)F)cnc34)cc2c1OC.
What is the InChIKey of 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
The InChIKey is JAQTUHREATYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-10-6-11(18-13(7-10)24-17(9-23-18)28-20(21)22)16-8-12-14(27-16)4-5-15(25-2)19(12)26-3/h4-9,20H,1-3H3.
What are the key properties of 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline?
2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline has a molecular weight of 386.35 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline is sourced from PubChem (CID 134181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).