2-benzyl-3-ethyl-1H-quinolin-4-one

C18H17NO — CID 131850781

IUPAC2-benzyl-3-ethyl-1H-quinolin-4-one
SMILESCCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H17NO/c1-2-14-17(12-13-8-4-3-5-9-13)19-16-11-7-6-10-15(16)18(14)20/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyZAXQGEMSVJVWCN-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds3

About 2-benzyl-3-ethyl-1H-quinolin-4-one

2-benzyl-3-ethyl-1H-quinolin-4-one (PubChem CID 131850781) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-benzyl-3-ethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-ethyl-1H-quinolin-4-one
PubChem CID131850781
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-benzyl-3-ethyl-1H-quinolin-4-one
SMILESCCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H17NO/c1-2-14-17(12-13-8-4-3-5-9-13)19-16-11-7-6-10-15(16)18(14)20/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyZAXQGEMSVJVWCN-UHFFFAOYSA-N
XLogP3.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyl-1H-quinolin-4-one?
The IUPAC name of 2-benzyl-3-ethyl-1H-quinolin-4-one (CID 131850781) is 2-benzyl-3-ethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-benzyl-3-ethyl-1H-quinolin-4-one?
The canonical SMILES for 2-benzyl-3-ethyl-1H-quinolin-4-one is CCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-benzyl-3-ethyl-1H-quinolin-4-one?
The InChIKey is ZAXQGEMSVJVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-14-17(12-13-8-4-3-5-9-13)19-16-11-7-6-10-15(16)18(14)20/h3-11H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-benzyl-3-ethyl-1H-quinolin-4-one?
2-benzyl-3-ethyl-1H-quinolin-4-one has a molecular weight of 263.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyl-1H-quinolin-4-one is sourced from PubChem (CID 131850781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).