7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C14H21N3O2Si — CID 142404726

IUPAC7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(N)ccc2c1=O
InChIInChI=1S/C14H21N3O2Si/c1-20(2,3)7-6-19-10-17-9-16-13-8-11(15)4-5-12(13)14(17)18/h4-5,8-9H,6-7,10,15H2,1-3H3
InChIKeyAVSODHXPNBWVHL-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.29
Rot. Bonds5

About 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 142404726) has the molecular formula C14H21N3O2Si and a molecular weight of 291.43 g/mol. Its IUPAC name is 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID142404726
Molecular FormulaC14H21N3O2Si
Molecular Weight291.43 g/mol
Exact Mass291.14
IUPAC Name7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(N)ccc2c1=O
InChIInChI=1S/C14H21N3O2Si/c1-20(2,3)7-6-19-10-17-9-16-13-8-11(15)4-5-12(13)14(17)18/h4-5,8-9H,6-7,10,15H2,1-3H3
InChIKeyAVSODHXPNBWVHL-UHFFFAOYSA-N
XLogP2.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 142404726) is 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCn1cnc2cc(N)ccc2c1=O.
What is the InChIKey of 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is AVSODHXPNBWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2Si/c1-20(2,3)7-6-19-10-17-9-16-13-8-11(15)4-5-12(13)14(17)18/h4-5,8-9H,6-7,10,15H2,1-3H3.
What are the key properties of 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 291.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 142404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).