3-benzyl-2-phenyl-3H-quinolin-4-one

C22H17NO — CID 169089991

IUPAC3-benzyl-2-phenyl-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C22H17NO/c24-22-18-13-7-8-14-20(18)23-21(17-11-5-2-6-12-17)19(22)15-16-9-3-1-4-10-16/h1-14,19H,15H2
InChIKeyYLQOHMOEFXOSLO-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.86
Rot. Bonds3

About 3-benzyl-2-phenyl-3H-quinolin-4-one

3-benzyl-2-phenyl-3H-quinolin-4-one (PubChem CID 169089991) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-benzyl-2-phenyl-3H-quinolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-phenyl-3H-quinolin-4-one
PubChem CID169089991
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3-benzyl-2-phenyl-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C22H17NO/c24-22-18-13-7-8-14-20(18)23-21(17-11-5-2-6-12-17)19(22)15-16-9-3-1-4-10-16/h1-14,19H,15H2
InChIKeyYLQOHMOEFXOSLO-UHFFFAOYSA-N
XLogP4.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenyl-3H-quinolin-4-one?
The IUPAC name of 3-benzyl-2-phenyl-3H-quinolin-4-one (CID 169089991) is 3-benzyl-2-phenyl-3H-quinolin-4-one.
What is the SMILES notation for 3-benzyl-2-phenyl-3H-quinolin-4-one?
The canonical SMILES for 3-benzyl-2-phenyl-3H-quinolin-4-one is O=C1c2ccccc2N=C(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenyl-3H-quinolin-4-one?
The InChIKey is YLQOHMOEFXOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-22-18-13-7-8-14-20(18)23-21(17-11-5-2-6-12-17)19(22)15-16-9-3-1-4-10-16/h1-14,19H,15H2.
What are the key properties of 3-benzyl-2-phenyl-3H-quinolin-4-one?
3-benzyl-2-phenyl-3H-quinolin-4-one has a molecular weight of 311.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenyl-3H-quinolin-4-one is sourced from PubChem (CID 169089991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).