2,7-dichloro-6-methoxy-3-methylquinoline

C11H9Cl2NO — CID 28809488

IUPAC2,7-dichloro-6-methoxy-3-methylquinoline
SMILESCOc1cc2cc(C)c(Cl)nc2cc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-6-3-7-4-10(15-2)8(12)5-9(7)14-11(6)13/h3-5H,1-2H3
InChIKeyRJEYCIXKPYVUAQ-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.86
Rot. Bonds1

About 2,7-dichloro-6-methoxy-3-methylquinoline

2,7-dichloro-6-methoxy-3-methylquinoline (PubChem CID 28809488) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2,7-dichloro-6-methoxy-3-methylquinoline.

Molecular Properties

Compound Name2,7-dichloro-6-methoxy-3-methylquinoline
PubChem CID28809488
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2,7-dichloro-6-methoxy-3-methylquinoline
SMILESCOc1cc2cc(C)c(Cl)nc2cc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-6-3-7-4-10(15-2)8(12)5-9(7)14-11(6)13/h3-5H,1-2H3
InChIKeyRJEYCIXKPYVUAQ-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,7-dichloro-6-methoxy-3-methylquinoline?
The IUPAC name of 2,7-dichloro-6-methoxy-3-methylquinoline (CID 28809488) is 2,7-dichloro-6-methoxy-3-methylquinoline.
What is the SMILES notation for 2,7-dichloro-6-methoxy-3-methylquinoline?
The canonical SMILES for 2,7-dichloro-6-methoxy-3-methylquinoline is COc1cc2cc(C)c(Cl)nc2cc1Cl.
What is the InChIKey of 2,7-dichloro-6-methoxy-3-methylquinoline?
The InChIKey is RJEYCIXKPYVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-3-7-4-10(15-2)8(12)5-9(7)14-11(6)13/h3-5H,1-2H3.
What are the key properties of 2,7-dichloro-6-methoxy-3-methylquinoline?
2,7-dichloro-6-methoxy-3-methylquinoline has a molecular weight of 242.10 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-6-methoxy-3-methylquinoline is sourced from PubChem (CID 28809488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).