4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline

C15H8Cl4N2 — CID 82870560

IUPAC4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C15H8Cl4N2/c1-7-2-3-8(16)4-10(7)15-20-13-11(14(19)21-15)5-9(17)6-12(13)18/h2-6H,1H3
InChIKeyPSCTWDWDNCCPRV-UHFFFAOYSA-N
MW358.06 g/mol
LogP6.22
Rot. Bonds1

About 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline

4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline (PubChem CID 82870560) has the molecular formula C15H8Cl4N2 and a molecular weight of 358.06 g/mol. Its IUPAC name is 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline.

Molecular Properties

Compound Name4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
PubChem CID82870560
Molecular FormulaC15H8Cl4N2
Molecular Weight358.06 g/mol
Exact Mass355.94
IUPAC Name4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C15H8Cl4N2/c1-7-2-3-8(16)4-10(7)15-20-13-11(14(19)21-15)5-9(17)6-12(13)18/h2-6H,1H3
InChIKeyPSCTWDWDNCCPRV-UHFFFAOYSA-N
XLogP6.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.06
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline?
The IUPAC name of 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline (CID 82870560) is 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline.
What is the SMILES notation for 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline?
The canonical SMILES for 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline is Cc1ccc(Cl)cc1-c1nc(Cl)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline?
The InChIKey is PSCTWDWDNCCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N2/c1-7-2-3-8(16)4-10(7)15-20-13-11(14(19)21-15)5-9(17)6-12(13)18/h2-6H,1H3.
What are the key properties of 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline?
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline has a molecular weight of 358.06 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline is sourced from PubChem (CID 82870560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).