4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline

C18H15Cl2NO2 — CID 162652204

IUPAC4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-7-18(14-9-13(22-2)4-6-17(14)21-11)23-10-12-3-5-15(19)16(20)8-12/h3-9H,10H2,1-2H3
InChIKeyLNOPPGNOTHHPQA-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.44
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline

4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline (PubChem CID 162652204) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline
PubChem CID162652204
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(OCc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-7-18(14-9-13(22-2)4-6-17(14)21-11)23-10-12-3-5-15(19)16(20)8-12/h3-9H,10H2,1-2H3
InChIKeyLNOPPGNOTHHPQA-UHFFFAOYSA-N
XLogP5.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline (CID 162652204) is 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(OCc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
The InChIKey is LNOPPGNOTHHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-11-7-18(14-9-13(22-2)4-6-17(14)21-11)23-10-12-3-5-15(19)16(20)8-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline?
4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline has a molecular weight of 348.23 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methoxy]-6-methoxy-2-methylquinoline is sourced from PubChem (CID 162652204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).