4,6,8-trichloro-2,3-dimethylquinoline

C11H8Cl3N — CID 63409062

IUPAC4,6,8-trichloro-2,3-dimethylquinoline
SMILESCc1nc2c(Cl)cc(Cl)cc2c(Cl)c1C
InChIInChI=1S/C11H8Cl3N/c1-5-6(2)15-11-8(10(5)14)3-7(12)4-9(11)13/h3-4H,1-2H3
InChIKeyTWDHFPIQLBHGMK-UHFFFAOYSA-N
MW260.55 g/mol
LogP4.81
Rot. Bonds

About 4,6,8-trichloro-2,3-dimethylquinoline

4,6,8-trichloro-2,3-dimethylquinoline (PubChem CID 63409062) has the molecular formula C11H8Cl3N and a molecular weight of 260.55 g/mol. Its IUPAC name is 4,6,8-trichloro-2,3-dimethylquinoline.

Molecular Properties

Compound Name4,6,8-trichloro-2,3-dimethylquinoline
PubChem CID63409062
Molecular FormulaC11H8Cl3N
Molecular Weight260.55 g/mol
Exact Mass258.97
IUPAC Name4,6,8-trichloro-2,3-dimethylquinoline
SMILESCc1nc2c(Cl)cc(Cl)cc2c(Cl)c1C
InChIInChI=1S/C11H8Cl3N/c1-5-6(2)15-11-8(10(5)14)3-7(12)4-9(11)13/h3-4H,1-2H3
InChIKeyTWDHFPIQLBHGMK-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloro-2,3-dimethylquinoline?
The IUPAC name of 4,6,8-trichloro-2,3-dimethylquinoline (CID 63409062) is 4,6,8-trichloro-2,3-dimethylquinoline.
What is the SMILES notation for 4,6,8-trichloro-2,3-dimethylquinoline?
The canonical SMILES for 4,6,8-trichloro-2,3-dimethylquinoline is Cc1nc2c(Cl)cc(Cl)cc2c(Cl)c1C.
What is the InChIKey of 4,6,8-trichloro-2,3-dimethylquinoline?
The InChIKey is TWDHFPIQLBHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N/c1-5-6(2)15-11-8(10(5)14)3-7(12)4-9(11)13/h3-4H,1-2H3.
What are the key properties of 4,6,8-trichloro-2,3-dimethylquinoline?
4,6,8-trichloro-2,3-dimethylquinoline has a molecular weight of 260.55 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloro-2,3-dimethylquinoline is sourced from PubChem (CID 63409062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).