6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one

C20H18F2N4O2 — CID 58584936

IUPAC6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESCOCCN(C)c1ccc2[nH]c(-c3nc4cc(F)c(F)cc4[nH]c3=O)cc2c1
InChIInChI=1S/C20H18F2N4O2/c1-26(5-6-28-2)12-3-4-15-11(7-12)8-18(23-15)19-20(27)25-17-10-14(22)13(21)9-16(17)24-19/h3-4,7-10,23H,5-6H2,1-2H3,(H,25,27)
InChIKeyUMOXYIMGHPWSKH-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.43
Rot. Bonds5

About 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one

6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one (PubChem CID 58584936) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one
PubChem CID58584936
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESCOCCN(C)c1ccc2[nH]c(-c3nc4cc(F)c(F)cc4[nH]c3=O)cc2c1
InChIInChI=1S/C20H18F2N4O2/c1-26(5-6-28-2)12-3-4-15-11(7-12)8-18(23-15)19-20(27)25-17-10-14(22)13(21)9-16(17)24-19/h3-4,7-10,23H,5-6H2,1-2H3,(H,25,27)
InChIKeyUMOXYIMGHPWSKH-UHFFFAOYSA-N
XLogP3.43
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one (CID 58584936) is 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one is COCCN(C)c1ccc2[nH]c(-c3nc4cc(F)c(F)cc4[nH]c3=O)cc2c1.
What is the InChIKey of 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one?
The InChIKey is UMOXYIMGHPWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-26(5-6-28-2)12-3-4-15-11(7-12)8-18(23-15)19-20(27)25-17-10-14(22)13(21)9-16(17)24-19/h3-4,7-10,23H,5-6H2,1-2H3,(H,25,27).
What are the key properties of 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one?
6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one has a molecular weight of 384.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[5-[2-methoxyethyl(methyl)amino]-1H-indol-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 58584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).