3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline

C24H19Cl2NO2 — CID 66799989

IUPAC3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline
SMILESCOc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2NO2/c1-15-6-5-7-16-12-17(14-29-22-11-10-18(28-2)13-21(22)26)24(27-23(15)16)19-8-3-4-9-20(19)25/h3-13H,14H2,1-2H3
InChIKeyMOGBGGFFYRLZLJ-UHFFFAOYSA-N
MW424.33 g/mol
LogP7.10
Rot. Bonds5

About 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline

3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline (PubChem CID 66799989) has the molecular formula C24H19Cl2NO2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline.

Molecular Properties

Compound Name3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline
PubChem CID66799989
Molecular FormulaC24H19Cl2NO2
Molecular Weight424.33 g/mol
Exact Mass423.08
IUPAC Name3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline
SMILESCOc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2NO2/c1-15-6-5-7-16-12-17(14-29-22-11-10-18(28-2)13-21(22)26)24(27-23(15)16)19-8-3-4-9-20(19)25/h3-13H,14H2,1-2H3
InChIKeyMOGBGGFFYRLZLJ-UHFFFAOYSA-N
XLogP7.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline?
The IUPAC name of 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline (CID 66799989) is 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline.
What is the SMILES notation for 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline?
The canonical SMILES for 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline is COc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline?
The InChIKey is MOGBGGFFYRLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO2/c1-15-6-5-7-16-12-17(14-29-22-11-10-18(28-2)13-21(22)26)24(27-23(15)16)19-8-3-4-9-20(19)25/h3-13H,14H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline?
3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline has a molecular weight of 424.33 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2-chlorophenyl)-8-methylquinoline is sourced from PubChem (CID 66799989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).