3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane

C25H24ClNO3 — CID 134686657

IUPAC3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane
SMILESC.COc1cc(O)cc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
InChIInChI=1S/C24H20ClNO3.CH4/c1-15-6-5-7-16-10-17(14-29-20-12-18(27)11-19(13-20)28-2)24(26-23(15)16)21-8-3-4-9-22(21)25;/h3-13,27H,14H2,1-2H3;1H4
InChIKeyYWCXHQDDYITIEQ-UHFFFAOYSA-N
MW421.92 g/mol
LogP6.79
Rot. Bonds5

About 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane

3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane (PubChem CID 134686657) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane
PubChem CID134686657
Molecular FormulaC25H24ClNO3
Molecular Weight421.92 g/mol
Exact Mass421.14
IUPAC Name3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane
SMILESC.COc1cc(O)cc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
InChIInChI=1S/C24H20ClNO3.CH4/c1-15-6-5-7-16-10-17(14-29-20-12-18(27)11-19(13-20)28-2)24(26-23(15)16)21-8-3-4-9-22(21)25;/h3-13,27H,14H2,1-2H3;1H4
InChIKeyYWCXHQDDYITIEQ-UHFFFAOYSA-N
XLogP6.79
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane?
The IUPAC name of 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane (CID 134686657) is 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane is C.COc1cc(O)cc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane?
The InChIKey is YWCXHQDDYITIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3.CH4/c1-15-6-5-7-16-10-17(14-29-20-12-18(27)11-19(13-20)28-2)24(26-23(15)16)21-8-3-4-9-22(21)25;/h3-13,27H,14H2,1-2H3;1H4.
What are the key properties of 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane?
3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane has a molecular weight of 421.92 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methoxy]-5-methoxyphenol;methane is sourced from PubChem (CID 134686657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).