5-benzyl-1H-quinolin-4-one

C16H13NO — CID 656232

IUPAC5-benzyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(Cc3ccccc3)c12
InChIInChI=1S/C16H13NO/c18-15-9-10-17-14-8-4-7-13(16(14)15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)
InChIKeyKXJJLEHHIIAZNR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.12
Rot. Bonds2

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

5-benzyl-1H-quinolin-4-one (PubChem CID 656232) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-benzyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-benzyl-1H-quinolin-4-one
PubChem CID656232
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-benzyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(Cc3ccccc3)c12
InChIInChI=1S/C16H13NO/c18-15-9-10-17-14-8-4-7-13(16(14)15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)
InChIKeyKXJJLEHHIIAZNR-UHFFFAOYSA-N
XLogP3.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-quinolin-4-one?
The IUPAC name of 5-benzyl-1H-quinolin-4-one (CID 656232) is 5-benzyl-1H-quinolin-4-one.
What is the SMILES notation for 5-benzyl-1H-quinolin-4-one?
The canonical SMILES for 5-benzyl-1H-quinolin-4-one is O=c1cc[nH]c2cccc(Cc3ccccc3)c12.
What is the InChIKey of 5-benzyl-1H-quinolin-4-one?
The InChIKey is KXJJLEHHIIAZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-15-9-10-17-14-8-4-7-13(16(14)15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18).
What are the key properties of 5-benzyl-1H-quinolin-4-one?
5-benzyl-1H-quinolin-4-one has a molecular weight of 235.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-quinolin-4-one is sourced from PubChem (CID 656232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).