4-butylselanyl-6,8-dichloroquinazoline

C12H12Cl2N2Se — CID 156772164

IUPAC4-butylselanyl-6,8-dichloroquinazoline
SMILESCCCC[Se]c1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C12H12Cl2N2Se/c1-2-3-4-17-12-9-5-8(13)6-10(14)11(9)15-7-16-12/h5-7H,2-4H2,1H3
InChIKeyPPMUZCAZUSGYHK-UHFFFAOYSA-N
MW334.11 g/mol
LogP3.48
Rot. Bonds4

About 4-butylselanyl-6,8-dichloroquinazoline

4-butylselanyl-6,8-dichloroquinazoline (PubChem CID 156772164) has the molecular formula C12H12Cl2N2Se and a molecular weight of 334.11 g/mol. Its IUPAC name is 4-butylselanyl-6,8-dichloroquinazoline.

Molecular Properties

Compound Name4-butylselanyl-6,8-dichloroquinazoline
PubChem CID156772164
Molecular FormulaC12H12Cl2N2Se
Molecular Weight334.11 g/mol
Exact Mass333.95
IUPAC Name4-butylselanyl-6,8-dichloroquinazoline
SMILESCCCC[Se]c1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C12H12Cl2N2Se/c1-2-3-4-17-12-9-5-8(13)6-10(14)11(9)15-7-16-12/h5-7H,2-4H2,1H3
InChIKeyPPMUZCAZUSGYHK-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-butylselanyl-6,8-dichloroquinazoline?
The IUPAC name of 4-butylselanyl-6,8-dichloroquinazoline (CID 156772164) is 4-butylselanyl-6,8-dichloroquinazoline.
What is the SMILES notation for 4-butylselanyl-6,8-dichloroquinazoline?
The canonical SMILES for 4-butylselanyl-6,8-dichloroquinazoline is CCCC[Se]c1ncnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 4-butylselanyl-6,8-dichloroquinazoline?
The InChIKey is PPMUZCAZUSGYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2Se/c1-2-3-4-17-12-9-5-8(13)6-10(14)11(9)15-7-16-12/h5-7H,2-4H2,1H3.
What are the key properties of 4-butylselanyl-6,8-dichloroquinazoline?
4-butylselanyl-6,8-dichloroquinazoline has a molecular weight of 334.11 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylselanyl-6,8-dichloroquinazoline is sourced from PubChem (CID 156772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).