5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline

C18H17F2N3O2 — CID 86712407

IUPAC5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline
SMILESCOC(C)(C)c1ncccc1Oc1nc2ccc(F)c(F)c2nc1C
InChIInChI=1S/C18H17F2N3O2/c1-10-17(23-12-8-7-11(19)14(20)15(12)22-10)25-13-6-5-9-21-16(13)18(2,3)24-4/h5-9H,1-4H3
InChIKeyGPQNHGYRXXYBQR-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.29
Rot. Bonds4

About 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline

5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline (PubChem CID 86712407) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline.

Molecular Properties

Compound Name5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline
PubChem CID86712407
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline
SMILESCOC(C)(C)c1ncccc1Oc1nc2ccc(F)c(F)c2nc1C
InChIInChI=1S/C18H17F2N3O2/c1-10-17(23-12-8-7-11(19)14(20)15(12)22-10)25-13-6-5-9-21-16(13)18(2,3)24-4/h5-9H,1-4H3
InChIKeyGPQNHGYRXXYBQR-UHFFFAOYSA-N
XLogP4.29
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline?
The IUPAC name of 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline (CID 86712407) is 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline.
What is the SMILES notation for 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline?
The canonical SMILES for 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline is COC(C)(C)c1ncccc1Oc1nc2ccc(F)c(F)c2nc1C.
What is the InChIKey of 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline?
The InChIKey is GPQNHGYRXXYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-10-17(23-12-8-7-11(19)14(20)15(12)22-10)25-13-6-5-9-21-16(13)18(2,3)24-4/h5-9H,1-4H3.
What are the key properties of 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline?
5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline has a molecular weight of 345.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[[2-(2-methoxypropan-2-yl)-3-pyridinyl]oxy]-3-methylquinoxaline is sourced from PubChem (CID 86712407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).