1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one

C18H18N2O2 — CID 54706810

IUPAC1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
SMILESCN(C)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H18N2O2/c1-19(2)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,12H2,1-2H3
InChIKeyKMCDFLMMPWHXDP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.82
Rot. Bonds3

About 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one

1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one (PubChem CID 54706810) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
PubChem CID54706810
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
SMILESCN(C)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H18N2O2/c1-19(2)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,12H2,1-2H3
InChIKeyKMCDFLMMPWHXDP-UHFFFAOYSA-N
XLogP2.82
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one?
The IUPAC name of 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one (CID 54706810) is 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one is CN(C)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one?
The InChIKey is KMCDFLMMPWHXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(2)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,12H2,1-2H3.
What are the key properties of 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one?
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54706810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).