4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole

C22H20N2O4 — CID 112812008

IUPAC4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(COc3cc(C)nc4ccc(OC)cc34)co2)cc1
InChIInChI=1S/C22H20N2O4/c1-14-10-21(19-11-18(26-3)8-9-20(19)23-14)27-12-16-13-28-22(24-16)15-4-6-17(25-2)7-5-15/h4-11,13H,12H2,1-3H3
InChIKeyLCJNMGFFLYDLDH-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.79
Rot. Bonds6

About 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole

4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 112812008) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID112812008
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(COc3cc(C)nc4ccc(OC)cc34)co2)cc1
InChIInChI=1S/C22H20N2O4/c1-14-10-21(19-11-18(26-3)8-9-20(19)23-14)27-12-16-13-28-22(24-16)15-4-6-17(25-2)7-5-15/h4-11,13H,12H2,1-3H3
InChIKeyLCJNMGFFLYDLDH-UHFFFAOYSA-N
XLogP4.79
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 112812008) is 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(COc3cc(C)nc4ccc(OC)cc34)co2)cc1.
What is the InChIKey of 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is LCJNMGFFLYDLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-10-21(19-11-18(26-3)8-9-20(19)23-14)27-12-16-13-28-22(24-16)15-4-6-17(25-2)7-5-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 376.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 112812008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).