1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen

C22H16F2N4O — CID 144741980

IUPAC1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
SMILESO=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccc3cn[nH]c3c2)cc1F.[H][H]
InChIInChI=1S/C22H14F2N4O.H2/c23-17-7-15(13-5-6-14-10-26-27-20(14)9-13)8-18(24)16(17)12-28-21-4-2-1-3-19(21)25-11-22(28)29;/h1-11H,12H2,(H,26,27);1H
InChIKeyDXFOQNPNGZQWIV-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.51
Rot. Bonds3

About 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen

1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen (PubChem CID 144741980) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
PubChem CID144741980
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
SMILESO=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccc3cn[nH]c3c2)cc1F.[H][H]
InChIInChI=1S/C22H14F2N4O.H2/c23-17-7-15(13-5-6-14-10-26-27-20(14)9-13)8-18(24)16(17)12-28-21-4-2-1-3-19(21)25-11-22(28)29;/h1-11H,12H2,(H,26,27);1H
InChIKeyDXFOQNPNGZQWIV-UHFFFAOYSA-N
XLogP4.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The IUPAC name of 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen (CID 144741980) is 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen.
What is the SMILES notation for 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The canonical SMILES for 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen is O=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccc3cn[nH]c3c2)cc1F.[H][H].
What is the InChIKey of 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The InChIKey is DXFOQNPNGZQWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O.H2/c23-17-7-15(13-5-6-14-10-26-27-20(14)9-13)8-18(24)16(17)12-28-21-4-2-1-3-19(21)25-11-22(28)29;/h1-11H,12H2,(H,26,27);1H.
What are the key properties of 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen has a molecular weight of 390.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen is sourced from PubChem (CID 144741980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).