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

C18H12F2N2O2 — CID 134181112

IUPAC5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline
SMILESCc1cc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C18H12F2N2O2/c1-10-6-12(15-8-11-4-2-3-5-14(11)23-15)17-13(7-10)22-16(9-21-17)24-18(19)20/h2-9,18H,1H3
InChIKeyYPRMQTNRIMVCKL-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.95
Rot. Bonds3

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

5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline (PubChem CID 134181112) 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)-7-methylquinoxaline.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline
PubChem CID134181112
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline
SMILESCc1cc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C18H12F2N2O2/c1-10-6-12(15-8-11-4-2-3-5-14(11)23-15)17-13(7-10)22-16(9-21-17)24-18(19)20/h2-9,18H,1H3
InChIKeyYPRMQTNRIMVCKL-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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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline (CID 134181112) is 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline is Cc1cc(-c2cc3ccccc3o2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline?
The InChIKey is YPRMQTNRIMVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c1-10-6-12(15-8-11-4-2-3-5-14(11)23-15)17-13(7-10)22-16(9-21-17)24-18(19)20/h2-9,18H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-methylquinoxaline?
5-(1-benzofuran-2-yl)-2-(difluoromethoxy)-7-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)-7-methylquinoxaline is sourced from PubChem (CID 134181112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).