2-(1-benzofuran-2-yl)-4-phenylquinoline

C23H15NO — CID 2457742

IUPAC2-(1-benzofuran-2-yl)-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)nc3ccccc23)cc1
InChIInChI=1S/C23H15NO/c1-2-8-16(9-3-1)19-15-21(24-20-12-6-5-11-18(19)20)23-14-17-10-4-7-13-22(17)25-23/h1-15H
InChIKeyNBYXIBMNVHIHJI-UHFFFAOYSA-N
MW321.38 g/mol
LogP6.32
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-4-phenylquinoline

2-(1-benzofuran-2-yl)-4-phenylquinoline (PubChem CID 2457742) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-phenylquinoline
PubChem CID2457742
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name2-(1-benzofuran-2-yl)-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)nc3ccccc23)cc1
InChIInChI=1S/C23H15NO/c1-2-8-16(9-3-1)19-15-21(24-20-12-6-5-11-18(19)20)23-14-17-10-4-7-13-22(17)25-23/h1-15H
InChIKeyNBYXIBMNVHIHJI-UHFFFAOYSA-N
XLogP6.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzofuran-2-yl)-4-phenylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-phenylquinoline?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-phenylquinoline (CID 2457742) is 2-(1-benzofuran-2-yl)-4-phenylquinoline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-phenylquinoline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-phenylquinoline is c1ccc(-c2cc(-c3cc4ccccc4o3)nc3ccccc23)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-phenylquinoline?
The InChIKey is NBYXIBMNVHIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c1-2-8-16(9-3-1)19-15-21(24-20-12-6-5-11-18(19)20)23-14-17-10-4-7-13-22(17)25-23/h1-15H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-phenylquinoline?
2-(1-benzofuran-2-yl)-4-phenylquinoline has a molecular weight of 321.38 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-phenylquinoline is sourced from PubChem (CID 2457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).