3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one

C25H22N2O2 — CID 136756876

IUPAC3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
SMILESCC/C(=N\Cc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C25H22N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3/b26-21+
InChIKeyLWDWCLFXMTVDJY-YYADALCUSA-N
MW382.46 g/mol
LogP5.10
Rot. Bonds5

About 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one

3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 136756876) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
PubChem CID136756876
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
SMILESCC/C(=N\Cc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C25H22N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3/b26-21+
InChIKeyLWDWCLFXMTVDJY-YYADALCUSA-N
XLogP5.10
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one (CID 136756876) is 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one is CC/C(=N\Cc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is LWDWCLFXMTVDJY-YYADALCUSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-16,28H,2,17H2,1H3/b26-21+.
What are the key properties of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one?
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 382.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 136756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).