5-phenyl-1H-quinolin-4-one

C15H11NO — CID 155929320

IUPAC5-phenyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H11NO/c17-14-9-10-16-13-8-4-7-12(15(13)14)11-5-2-1-3-6-11/h1-10H,(H,16,17)
InChIKeyCCWHRXPULUYFMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.20
Rot. Bonds1

About 5-phenyl-1H-quinolin-4-one

5-phenyl-1H-quinolin-4-one (PubChem CID 155929320) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-phenyl-1H-quinolin-4-one
PubChem CID155929320
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name5-phenyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H11NO/c17-14-9-10-16-13-8-4-7-12(15(13)14)11-5-2-1-3-6-11/h1-10H,(H,16,17)
InChIKeyCCWHRXPULUYFMS-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-quinolin-4-one?
The IUPAC name of 5-phenyl-1H-quinolin-4-one (CID 155929320) is 5-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 5-phenyl-1H-quinolin-4-one?
The canonical SMILES for 5-phenyl-1H-quinolin-4-one is O=c1cc[nH]c2cccc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-1H-quinolin-4-one?
The InChIKey is CCWHRXPULUYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-14-9-10-16-13-8-4-7-12(15(13)14)11-5-2-1-3-6-11/h1-10H,(H,16,17).
What are the key properties of 5-phenyl-1H-quinolin-4-one?
5-phenyl-1H-quinolin-4-one has a molecular weight of 221.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 155929320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).