2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline

C23H19NO — CID 629773

IUPAC2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C23H19NO/c1-16-8-13-22-21(14-16)20(17-6-4-3-5-7-17)15-23(24-22)18-9-11-19(25-2)12-10-18/h3-15H,1-2H3
InChIKeyDEZIKGBQQCOAPY-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.89
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline

2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline (PubChem CID 629773) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline
PubChem CID629773
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C23H19NO/c1-16-8-13-22-21(14-16)20(17-6-4-3-5-7-17)15-23(24-22)18-9-11-19(25-2)12-10-18/h3-15H,1-2H3
InChIKeyDEZIKGBQQCOAPY-UHFFFAOYSA-N
XLogP5.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline (CID 629773) is 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline?
The InChIKey is DEZIKGBQQCOAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-16-8-13-22-21(14-16)20(17-6-4-3-5-7-17)15-23(24-22)18-9-11-19(25-2)12-10-18/h3-15H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline?
2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline has a molecular weight of 325.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-4-phenylquinoline is sourced from PubChem (CID 629773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).