1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one

C22H19NO — CID 134841606

IUPAC1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one
SMILESO=C1CC(c2ccccc2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-14,21H,15-16H2
InChIKeyBIAGOBGCGXTRNW-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.02
Rot. Bonds3

About 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one

1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one (PubChem CID 134841606) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one
PubChem CID134841606
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one
SMILESO=C1CC(c2ccccc2)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-14,21H,15-16H2
InChIKeyBIAGOBGCGXTRNW-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 170718651
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CID 4640936
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one (CID 134841606) is 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one is O=C1CC(c2ccccc2)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one?
The InChIKey is BIAGOBGCGXTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c24-22-15-21(18-11-5-2-6-12-18)23(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)22/h1-14,21H,15-16H2.
What are the key properties of 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one?
1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one has a molecular weight of 313.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134841606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).