2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline

C16H6Cl4N4Se2 — CID 71496121

IUPAC2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline
SMILESClc1ccc2nc(Cl)nc([Se][Se]c3nc(Cl)nc4ccc(Cl)cc34)c2c1
InChIInChI=1S/C16H6Cl4N4Se2/c17-7-1-3-11-9(5-7)13(23-15(19)21-11)25-26-14-10-6-8(18)2-4-12(10)22-16(20)24-14/h1-6H
InChIKeyPRCBMWLUWBOSRX-UHFFFAOYSA-N
MW553.98 g/mol
LogP3.46
Rot. Bonds3

About 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline

2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline (PubChem CID 71496121) has the molecular formula C16H6Cl4N4Se2 and a molecular weight of 553.98 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline.

Molecular Properties

Compound Name2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline
PubChem CID71496121
Molecular FormulaC16H6Cl4N4Se2
Molecular Weight553.98 g/mol
Exact Mass553.77
IUPAC Name2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline
SMILESClc1ccc2nc(Cl)nc([Se][Se]c3nc(Cl)nc4ccc(Cl)cc34)c2c1
InChIInChI=1S/C16H6Cl4N4Se2/c17-7-1-3-11-9(5-7)13(23-15(19)21-11)25-26-14-10-6-8(18)2-4-12(10)22-16(20)24-14/h1-6H
InChIKeyPRCBMWLUWBOSRX-UHFFFAOYSA-N
XLogP3.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.98
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline?
The IUPAC name of 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline (CID 71496121) is 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline.
What is the SMILES notation for 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline?
The canonical SMILES for 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline is Clc1ccc2nc(Cl)nc([Se][Se]c3nc(Cl)nc4ccc(Cl)cc34)c2c1.
What is the InChIKey of 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline?
The InChIKey is PRCBMWLUWBOSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Cl4N4Se2/c17-7-1-3-11-9(5-7)13(23-15(19)21-11)25-26-14-10-6-8(18)2-4-12(10)22-16(20)24-14/h1-6H.
What are the key properties of 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline?
2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline has a molecular weight of 553.98 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline is sourced from PubChem (CID 71496121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).