2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate

C20H17FN4O3 — CID 18999917

IUPAC2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
SMILESCOc1ccc(-c2cnc3cc4nn(CCOC(C)=O)cc4cc3n2)cc1F
InChIInChI=1S/C20H17FN4O3/c1-12(26)28-6-5-25-11-14-8-18-17(9-16(14)24-25)22-10-19(23-18)13-3-4-20(27-2)15(21)7-13/h3-4,7-11H,5-6H2,1-2H3
InChIKeyRWODWGJYYMYGIU-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.36
Rot. Bonds5

About 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate

2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate (PubChem CID 18999917) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
PubChem CID18999917
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
SMILESCOc1ccc(-c2cnc3cc4nn(CCOC(C)=O)cc4cc3n2)cc1F
InChIInChI=1S/C20H17FN4O3/c1-12(26)28-6-5-25-11-14-8-18-17(9-16(14)24-25)22-10-19(23-18)13-3-4-20(27-2)15(21)7-13/h3-4,7-11H,5-6H2,1-2H3
InChIKeyRWODWGJYYMYGIU-UHFFFAOYSA-N
XLogP3.36
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate?
The IUPAC name of 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate (CID 18999917) is 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate?
The canonical SMILES for 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate is COc1ccc(-c2cnc3cc4nn(CCOC(C)=O)cc4cc3n2)cc1F.
What is the InChIKey of 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate?
The InChIKey is RWODWGJYYMYGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12(26)28-6-5-25-11-14-8-18-17(9-16(14)24-25)22-10-19(23-18)13-3-4-20(27-2)15(21)7-13/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate?
2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate has a molecular weight of 380.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate is sourced from PubChem (CID 18999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).