3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one

C18H17NO2 — CID 54693805

IUPAC3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C18H17NO2/c1-2-12-8-9-16-14(10-12)17(20)15(18(21)19-16)11-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyBOADFAYUAKQUSG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.39
Rot. Bonds3

About 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one

3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54693805) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54693805
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C18H17NO2/c1-2-12-8-9-16-14(10-12)17(20)15(18(21)19-16)11-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyBOADFAYUAKQUSG-UHFFFAOYSA-N
XLogP3.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one (CID 54693805) is 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1.
What is the InChIKey of 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is BOADFAYUAKQUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-12-8-9-16-14(10-12)17(20)15(18(21)19-16)11-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21).
What are the key properties of 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one?
3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-ethyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54693805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).