2-phenyl-4-phenylmethoxyquinoline

C22H17NO — CID 14954067

IUPAC2-phenyl-4-phenylmethoxyquinoline
SMILESc1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-3-9-17(10-4-1)16-24-22-15-21(18-11-5-2-6-12-18)23-20-14-8-7-13-19(20)22/h1-15H,16H2
InChIKeyOJUYBSPIFYOBBL-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.48
Rot. Bonds4

About 2-phenyl-4-phenylmethoxyquinoline

2-phenyl-4-phenylmethoxyquinoline (PubChem CID 14954067) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-phenyl-4-phenylmethoxyquinoline
PubChem CID14954067
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-phenyl-4-phenylmethoxyquinoline
SMILESc1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-3-9-17(10-4-1)16-24-22-15-21(18-11-5-2-6-12-18)23-20-14-8-7-13-19(20)22/h1-15H,16H2
InChIKeyOJUYBSPIFYOBBL-UHFFFAOYSA-N
XLogP5.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-phenyl-4-phenylmethoxyquinoline (CID 14954067) is 2-phenyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-phenyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-phenyl-4-phenylmethoxyquinoline is c1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-4-phenylmethoxyquinoline?
The InChIKey is OJUYBSPIFYOBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-3-9-17(10-4-1)16-24-22-15-21(18-11-5-2-6-12-18)23-20-14-8-7-13-19(20)22/h1-15H,16H2.
What are the key properties of 2-phenyl-4-phenylmethoxyquinoline?
2-phenyl-4-phenylmethoxyquinoline has a molecular weight of 311.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 14954067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).