2-benzyl-1H-quinolin-4-one

C16H13NO — CID 121005126

IUPAC2-benzyl-1H-quinolin-4-one
SMILESO=c1cc(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO/c18-16-11-13(10-12-6-2-1-3-7-12)17-15-9-5-4-8-14(15)16/h1-9,11H,10H2,(H,17,18)
InChIKeyGNBQZCWLDBJTAV-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.12
Rot. Bonds2

About 2-benzyl-1H-quinolin-4-one

2-benzyl-1H-quinolin-4-one (PubChem CID 121005126) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-benzyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-benzyl-1H-quinolin-4-one
PubChem CID121005126
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-benzyl-1H-quinolin-4-one
SMILESO=c1cc(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO/c18-16-11-13(10-12-6-2-1-3-7-12)17-15-9-5-4-8-14(15)16/h1-9,11H,10H2,(H,17,18)
InChIKeyGNBQZCWLDBJTAV-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 2-benzyl-1H-quinolin-4-one?
The IUPAC name of 2-benzyl-1H-quinolin-4-one (CID 121005126) is 2-benzyl-1H-quinolin-4-one.
What is the SMILES notation for 2-benzyl-1H-quinolin-4-one?
The canonical SMILES for 2-benzyl-1H-quinolin-4-one is O=c1cc(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-benzyl-1H-quinolin-4-one?
The InChIKey is GNBQZCWLDBJTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-11-13(10-12-6-2-1-3-7-12)17-15-9-5-4-8-14(15)16/h1-9,11H,10H2,(H,17,18).
What are the key properties of 2-benzyl-1H-quinolin-4-one?
2-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 2-benzyl-1H-quinolin-4-one is sourced from PubChem (CID 121005126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).