1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen

C23H18F2N4O — CID 144741969

IUPAC1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
SMILESCc1[nH]nc2cc(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)ccc12.[H][H]
InChIInChI=1S/C23H16F2N4O.H2/c1-13-16-7-6-14(10-21(16)28-27-13)15-8-18(24)17(19(25)9-15)12-29-22-5-3-2-4-20(22)26-11-23(29)30;/h2-11H,12H2,1H3,(H,27,28);1H
InChIKeyGGSUTRFORXRHGH-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.82
Rot. Bonds3

About 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen

1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen (PubChem CID 144741969) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
PubChem CID144741969
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
SMILESCc1[nH]nc2cc(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)ccc12.[H][H]
InChIInChI=1S/C23H16F2N4O.H2/c1-13-16-7-6-14(10-21(16)28-27-13)15-8-18(24)17(19(25)9-15)12-29-22-5-3-2-4-20(22)26-11-23(29)30;/h2-11H,12H2,1H3,(H,27,28);1H
InChIKeyGGSUTRFORXRHGH-UHFFFAOYSA-N
XLogP4.82
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.82
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-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The IUPAC name of 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen (CID 144741969) is 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen.
What is the SMILES notation for 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The canonical SMILES for 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen is Cc1[nH]nc2cc(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)ccc12.[H][H].
What is the InChIKey of 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
The InChIKey is GGSUTRFORXRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O.H2/c1-13-16-7-6-14(10-21(16)28-27-13)15-8-18(24)17(19(25)9-15)12-29-22-5-3-2-4-20(22)26-11-23(29)30;/h2-11H,12H2,1H3,(H,27,28);1H.
What are the key properties of 1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen?
1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen has a molecular weight of 404.42 g/mol, XLogP of 4.82, 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-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen is sourced from PubChem (CID 144741969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).