2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline

C16H12Cl2N2Si — CID 140829135

IUPAC2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline
SMILESC[Si]1(C)c2ccccc2-c2c1ccc1c(Cl)nc(Cl)nc21
InChIInChI=1S/C16H12Cl2N2Si/c1-21(2)11-6-4-3-5-9(11)13-12(21)8-7-10-14(13)19-16(18)20-15(10)17/h3-8H,1-2H3
InChIKeyXDXJZBAYBAITML-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.74
Rot. Bonds

About 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline

2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline (PubChem CID 140829135) has the molecular formula C16H12Cl2N2Si and a molecular weight of 331.28 g/mol. Its IUPAC name is 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline.

Molecular Properties

Compound Name2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline
PubChem CID140829135
Molecular FormulaC16H12Cl2N2Si
Molecular Weight331.28 g/mol
Exact Mass330.01
IUPAC Name2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline
SMILESC[Si]1(C)c2ccccc2-c2c1ccc1c(Cl)nc(Cl)nc21
InChIInChI=1S/C16H12Cl2N2Si/c1-21(2)11-6-4-3-5-9(11)13-12(21)8-7-10-14(13)19-16(18)20-15(10)17/h3-8H,1-2H3
InChIKeyXDXJZBAYBAITML-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline?
The IUPAC name of 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline (CID 140829135) is 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline.
What is the SMILES notation for 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline?
The canonical SMILES for 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline is C[Si]1(C)c2ccccc2-c2c1ccc1c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline?
The InChIKey is XDXJZBAYBAITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2Si/c1-21(2)11-6-4-3-5-9(11)13-12(21)8-7-10-14(13)19-16(18)20-15(10)17/h3-8H,1-2H3.
What are the key properties of 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline?
2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline has a molecular weight of 331.28 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline is sourced from PubChem (CID 140829135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).