3,4-dichloro-2,6-dimethylquinoline

C11H9Cl2N — CID 54483448

IUPAC3,4-dichloro-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)c(Cl)c(Cl)c2c1
InChIInChI=1S/C11H9Cl2N/c1-6-3-4-9-8(5-6)11(13)10(12)7(2)14-9/h3-5H,1-2H3
InChIKeyXQQKEKRKAONBKM-UHFFFAOYSA-N
MW226.11 g/mol
LogP4.16
Rot. Bonds

About 3,4-dichloro-2,6-dimethylquinoline

3,4-dichloro-2,6-dimethylquinoline (PubChem CID 54483448) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 3,4-dichloro-2,6-dimethylquinoline.

Molecular Properties

Compound Name3,4-dichloro-2,6-dimethylquinoline
PubChem CID54483448
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name3,4-dichloro-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)c(Cl)c(Cl)c2c1
InChIInChI=1S/C11H9Cl2N/c1-6-3-4-9-8(5-6)11(13)10(12)7(2)14-9/h3-5H,1-2H3
InChIKeyXQQKEKRKAONBKM-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2,6-dimethylquinoline?
The IUPAC name of 3,4-dichloro-2,6-dimethylquinoline (CID 54483448) is 3,4-dichloro-2,6-dimethylquinoline.
What is the SMILES notation for 3,4-dichloro-2,6-dimethylquinoline?
The canonical SMILES for 3,4-dichloro-2,6-dimethylquinoline is Cc1ccc2nc(C)c(Cl)c(Cl)c2c1.
What is the InChIKey of 3,4-dichloro-2,6-dimethylquinoline?
The InChIKey is XQQKEKRKAONBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c1-6-3-4-9-8(5-6)11(13)10(12)7(2)14-9/h3-5H,1-2H3.
What are the key properties of 3,4-dichloro-2,6-dimethylquinoline?
3,4-dichloro-2,6-dimethylquinoline has a molecular weight of 226.11 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,6-dimethylquinoline is sourced from PubChem (CID 54483448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).