3-benzyl-4-hydroxy-1-propylquinolin-2-one

C19H19NO2 — CID 54687410

IUPAC3-benzyl-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-12-20-17-11-7-6-10-15(17)18(21)16(19(20)22)13-14-8-4-3-5-9-14/h3-11,21H,2,12-13H2,1H3
InChIKeyKLOCVDUGNIGCCY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.71
Rot. Bonds4

About 3-benzyl-4-hydroxy-1-propylquinolin-2-one

3-benzyl-4-hydroxy-1-propylquinolin-2-one (PubChem CID 54687410) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-propylquinolin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-propylquinolin-2-one
PubChem CID54687410
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-benzyl-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-12-20-17-11-7-6-10-15(17)18(21)16(19(20)22)13-14-8-4-3-5-9-14/h3-11,21H,2,12-13H2,1H3
InChIKeyKLOCVDUGNIGCCY-UHFFFAOYSA-N
XLogP3.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-propylquinolin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-propylquinolin-2-one (CID 54687410) is 3-benzyl-4-hydroxy-1-propylquinolin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-propylquinolin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-propylquinolin-2-one is CCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 3-benzyl-4-hydroxy-1-propylquinolin-2-one?
The InChIKey is KLOCVDUGNIGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-12-20-17-11-7-6-10-15(17)18(21)16(19(20)22)13-14-8-4-3-5-9-14/h3-11,21H,2,12-13H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-1-propylquinolin-2-one?
3-benzyl-4-hydroxy-1-propylquinolin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1-propylquinolin-2-one is sourced from PubChem (CID 54687410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).