1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one

C23H16F2N4O — CID 86298474

IUPAC1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
SMILESCn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1
InChIInChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
InChIKeyVGTLDUFMYOCHOS-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.28
Rot. Bonds3

About 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one

1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one (PubChem CID 86298474) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
PubChem CID86298474
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC Name1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
SMILESCn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1
InChIInChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
InChIKeyVGTLDUFMYOCHOS-UHFFFAOYSA-N
XLogP4.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one (CID 86298474) is 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one is Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1.
What is the InChIKey of 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one?
The InChIKey is VGTLDUFMYOCHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3.
What are the key properties of 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one?
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one has a molecular weight of 402.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 86298474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).