2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C14H21N5O4Si — CID 156800678

IUPAC2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(NN)nc2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C14H21N5O4Si/c1-24(2,3)7-6-23-9-18-13(20)11-5-4-10(19(21)22)8-12(11)16-14(18)17-15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyMGGJSZDUFFQPTB-UHFFFAOYSA-N
MW351.44 g/mol
LogP1.90
Rot. Bonds7

About 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 156800678) has the molecular formula C14H21N5O4Si and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID156800678
Molecular FormulaC14H21N5O4Si
Molecular Weight351.44 g/mol
Exact Mass351.14
IUPAC Name2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(NN)nc2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C14H21N5O4Si/c1-24(2,3)7-6-23-9-18-13(20)11-5-4-10(19(21)22)8-12(11)16-14(18)17-15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyMGGJSZDUFFQPTB-UHFFFAOYSA-N
XLogP1.90
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 156800678) is 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCn1c(NN)nc2cc([N+](=O)[O-])ccc2c1=O.
What is the InChIKey of 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is MGGJSZDUFFQPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4Si/c1-24(2,3)7-6-23-9-18-13(20)11-5-4-10(19(21)22)8-12(11)16-14(18)17-15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 351.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 156800678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).