2,4-dichloro-7-methoxy-8-methylquinoline

C11H9Cl2NO — CID 53400954

IUPAC2,4-dichloro-7-methoxy-8-methylquinoline
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C11H9Cl2NO/c1-6-9(15-2)4-3-7-8(12)5-10(13)14-11(6)7/h3-5H,1-2H3
InChIKeyLXMBJRUBTLFCFT-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.86
Rot. Bonds1

About 2,4-dichloro-7-methoxy-8-methylquinoline

2,4-dichloro-7-methoxy-8-methylquinoline (PubChem CID 53400954) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2,4-dichloro-7-methoxy-8-methylquinoline.

Molecular Properties

Compound Name2,4-dichloro-7-methoxy-8-methylquinoline
PubChem CID53400954
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2,4-dichloro-7-methoxy-8-methylquinoline
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C11H9Cl2NO/c1-6-9(15-2)4-3-7-8(12)5-10(13)14-11(6)7/h3-5H,1-2H3
InChIKeyLXMBJRUBTLFCFT-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 2,4-dichloro-7-methoxy-8-methylquinoline?
The IUPAC name of 2,4-dichloro-7-methoxy-8-methylquinoline (CID 53400954) is 2,4-dichloro-7-methoxy-8-methylquinoline.
What is the SMILES notation for 2,4-dichloro-7-methoxy-8-methylquinoline?
The canonical SMILES for 2,4-dichloro-7-methoxy-8-methylquinoline is COc1ccc2c(Cl)cc(Cl)nc2c1C.
What is the InChIKey of 2,4-dichloro-7-methoxy-8-methylquinoline?
The InChIKey is LXMBJRUBTLFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-9(15-2)4-3-7-8(12)5-10(13)14-11(6)7/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-7-methoxy-8-methylquinoline?
2,4-dichloro-7-methoxy-8-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 2,4-dichloro-7-methoxy-8-methylquinoline is sourced from PubChem (CID 53400954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).