2,5-dichloro-3-ethyl-8-methylquinoline

C12H11Cl2N — CID 39346000

IUPAC2,5-dichloro-3-ethyl-8-methylquinoline
SMILESCCc1cc2c(Cl)ccc(C)c2nc1Cl
InChIInChI=1S/C12H11Cl2N/c1-3-8-6-9-10(13)5-4-7(2)11(9)15-12(8)14/h4-6H,3H2,1-2H3
InChIKeyCCNPEEROUHZRCX-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.41
Rot. Bonds1

About 2,5-dichloro-3-ethyl-8-methylquinoline

2,5-dichloro-3-ethyl-8-methylquinoline (PubChem CID 39346000) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,5-dichloro-3-ethyl-8-methylquinoline.

Molecular Properties

Compound Name2,5-dichloro-3-ethyl-8-methylquinoline
PubChem CID39346000
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name2,5-dichloro-3-ethyl-8-methylquinoline
SMILESCCc1cc2c(Cl)ccc(C)c2nc1Cl
InChIInChI=1S/C12H11Cl2N/c1-3-8-6-9-10(13)5-4-7(2)11(9)15-12(8)14/h4-6H,3H2,1-2H3
InChIKeyCCNPEEROUHZRCX-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.41
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 2,5-dichloro-3-ethyl-8-methylquinoline?
The IUPAC name of 2,5-dichloro-3-ethyl-8-methylquinoline (CID 39346000) is 2,5-dichloro-3-ethyl-8-methylquinoline.
What is the SMILES notation for 2,5-dichloro-3-ethyl-8-methylquinoline?
The canonical SMILES for 2,5-dichloro-3-ethyl-8-methylquinoline is CCc1cc2c(Cl)ccc(C)c2nc1Cl.
What is the InChIKey of 2,5-dichloro-3-ethyl-8-methylquinoline?
The InChIKey is CCNPEEROUHZRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-3-8-6-9-10(13)5-4-7(2)11(9)15-12(8)14/h4-6H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-3-ethyl-8-methylquinoline?
2,5-dichloro-3-ethyl-8-methylquinoline has a molecular weight of 240.13 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-ethyl-8-methylquinoline is sourced from PubChem (CID 39346000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).