2,4-dichloro-7,8-dimethylquinoline

C11H9Cl2N — CID 82581103

IUPAC2,4-dichloro-7,8-dimethylquinoline
SMILESCc1ccc2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C11H9Cl2N/c1-6-3-4-8-9(12)5-10(13)14-11(8)7(6)2/h3-5H,1-2H3
InChIKeyDAJFTBJUGYQXCX-UHFFFAOYSA-N
MW226.11 g/mol
LogP4.16
Rot. Bonds

About 2,4-dichloro-7,8-dimethylquinoline

2,4-dichloro-7,8-dimethylquinoline (PubChem CID 82581103) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 2,4-dichloro-7,8-dimethylquinoline.

Molecular Properties

Compound Name2,4-dichloro-7,8-dimethylquinoline
PubChem CID82581103
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name2,4-dichloro-7,8-dimethylquinoline
SMILESCc1ccc2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C11H9Cl2N/c1-6-3-4-8-9(12)5-10(13)14-11(8)7(6)2/h3-5H,1-2H3
InChIKeyDAJFTBJUGYQXCX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,8-dimethylquinoline?
The IUPAC name of 2,4-dichloro-7,8-dimethylquinoline (CID 82581103) is 2,4-dichloro-7,8-dimethylquinoline.
What is the SMILES notation for 2,4-dichloro-7,8-dimethylquinoline?
The canonical SMILES for 2,4-dichloro-7,8-dimethylquinoline is Cc1ccc2c(Cl)cc(Cl)nc2c1C.
What is the InChIKey of 2,4-dichloro-7,8-dimethylquinoline?
The InChIKey is DAJFTBJUGYQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c1-6-3-4-8-9(12)5-10(13)14-11(8)7(6)2/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-7,8-dimethylquinoline?
2,4-dichloro-7,8-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 2,4-dichloro-7,8-dimethylquinoline is sourced from PubChem (CID 82581103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).