3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide

C21H26FN5O3Si — CID 59733988

IUPAC3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide
SMILESC[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)NN)c2F)nc2c(N)cccc21
InChIInChI=1S/C21H26FN5O3Si/c1-31(2,3)11-10-30-12-27-16-9-5-8-15(23)19(16)25-18(21(27)29)13-6-4-7-14(17(13)22)20(28)26-24/h4-9H,10-12,23-24H2,1-3H3,(H,26,28)
InChIKeyKWBMAQFGFGKHPF-UHFFFAOYSA-N
MW443.56 g/mol
LogP2.70
Rot. Bonds7

About 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide

3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide (PubChem CID 59733988) has the molecular formula C21H26FN5O3Si and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide
PubChem CID59733988
Molecular FormulaC21H26FN5O3Si
Molecular Weight443.56 g/mol
Exact Mass443.18
IUPAC Name3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide
SMILESC[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)NN)c2F)nc2c(N)cccc21
InChIInChI=1S/C21H26FN5O3Si/c1-31(2,3)11-10-30-12-27-16-9-5-8-15(23)19(16)25-18(21(27)29)13-6-4-7-14(17(13)22)20(28)26-24/h4-9H,10-12,23-24H2,1-3H3,(H,26,28)
InChIKeyKWBMAQFGFGKHPF-UHFFFAOYSA-N
XLogP2.70
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide?
The IUPAC name of 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide (CID 59733988) is 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide?
The canonical SMILES for 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide is C[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)NN)c2F)nc2c(N)cccc21.
What is the InChIKey of 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide?
The InChIKey is KWBMAQFGFGKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3Si/c1-31(2,3)11-10-30-12-27-16-9-5-8-15(23)19(16)25-18(21(27)29)13-6-4-7-14(17(13)22)20(28)26-24/h4-9H,10-12,23-24H2,1-3H3,(H,26,28).
What are the key properties of 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide?
3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide has a molecular weight of 443.56 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 59733988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).