8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline

C17H13Cl2NO — CID 22113261

IUPAC8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10H2,1H3
InChIKeyLFMSWYLPAZIQRS-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.43
Rot. Bonds3

About 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline

8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline (PubChem CID 22113261) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline
PubChem CID22113261
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10H2,1H3
InChIKeyLFMSWYLPAZIQRS-UHFFFAOYSA-N
XLogP5.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline?
The IUPAC name of 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline (CID 22113261) is 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline?
The canonical SMILES for 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline is Cc1ccc2cccc(OCc3c(Cl)cccc3Cl)c2n1.
What is the InChIKey of 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline?
The InChIKey is LFMSWYLPAZIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10H2,1H3.
What are the key properties of 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline?
8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline has a molecular weight of 318.20 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dichlorophenyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 22113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).