2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C14H18Cl2N2O2Si — CID 156800676

IUPAC2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H18Cl2N2O2Si/c1-21(2,3)7-6-20-9-18-13(19)11-5-4-10(15)8-12(11)17-14(18)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyYNRHTAYIPXEKNS-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.02
Rot. Bonds5

About 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 156800676) has the molecular formula C14H18Cl2N2O2Si and a molecular weight of 345.30 g/mol. Its IUPAC name is 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID156800676
Molecular FormulaC14H18Cl2N2O2Si
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H18Cl2N2O2Si/c1-21(2,3)7-6-20-9-18-13(19)11-5-4-10(15)8-12(11)17-14(18)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyYNRHTAYIPXEKNS-UHFFFAOYSA-N
XLogP4.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 156800676) is 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCn1c(Cl)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is YNRHTAYIPXEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2Si/c1-21(2,3)7-6-20-9-18-13(19)11-5-4-10(15)8-12(11)17-14(18)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 345.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 156800676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).