furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate

C15H10F2N2O3 — CID 1208013

IUPACfuran-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate
SMILESCc1nc2cc(F)c(F)cc2nc1C(=O)OCc1ccco1
InChIInChI=1S/C15H10F2N2O3/c1-8-14(15(20)22-7-9-3-2-4-21-9)19-13-6-11(17)10(16)5-12(13)18-8/h2-6H,7H2,1H3
InChIKeyWNWJCNRVIYLEMA-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.17
Rot. Bonds3

About furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate

furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate (PubChem CID 1208013) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate
PubChem CID1208013
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC Namefuran-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate
SMILESCc1nc2cc(F)c(F)cc2nc1C(=O)OCc1ccco1
InChIInChI=1S/C15H10F2N2O3/c1-8-14(15(20)22-7-9-3-2-4-21-9)19-13-6-11(17)10(16)5-12(13)18-8/h2-6H,7H2,1H3
InChIKeyWNWJCNRVIYLEMA-UHFFFAOYSA-N
XLogP3.17
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate?
The IUPAC name of furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate (CID 1208013) is furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate?
The canonical SMILES for furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate is Cc1nc2cc(F)c(F)cc2nc1C(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate?
The InChIKey is WNWJCNRVIYLEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c1-8-14(15(20)22-7-9-3-2-4-21-9)19-13-6-11(17)10(16)5-12(13)18-8/h2-6H,7H2,1H3.
What are the key properties of furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate?
furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate has a molecular weight of 304.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate is sourced from PubChem (CID 1208013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).