2-(3,4-dimethoxyphenyl)-4-phenylquinoline

C23H19NO2 — CID 8966260

IUPAC2-(3,4-dimethoxyphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H19NO2/c1-25-22-13-12-17(14-23(22)26-2)21-15-19(16-8-4-3-5-9-16)18-10-6-7-11-20(18)24-21/h3-15H,1-2H3
InChIKeyRMUBTMOKWBESHA-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.59
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-phenylquinoline

2-(3,4-dimethoxyphenyl)-4-phenylquinoline (PubChem CID 8966260) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-phenylquinoline
PubChem CID8966260
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(3,4-dimethoxyphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H19NO2/c1-25-22-13-12-17(14-23(22)26-2)21-15-19(16-8-4-3-5-9-16)18-10-6-7-11-20(18)24-21/h3-15H,1-2H3
InChIKeyRMUBTMOKWBESHA-UHFFFAOYSA-N
XLogP5.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-phenylquinoline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-phenylquinoline (CID 8966260) is 2-(3,4-dimethoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-phenylquinoline?
The InChIKey is RMUBTMOKWBESHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-25-22-13-12-17(14-23(22)26-2)21-15-19(16-8-4-3-5-9-16)18-10-6-7-11-20(18)24-21/h3-15H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-phenylquinoline?
2-(3,4-dimethoxyphenyl)-4-phenylquinoline has a molecular weight of 341.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 8966260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).