3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

C14H16N2O3 — CID 135401324

IUPAC3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCCO/N=C(\C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H16N2O3/c1-4-19-15-9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-8,17H,4H2,1-3H3/b15-9+
InChIKeyPYUBRONKCMYICE-OQLLNIDSSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds3

About 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135401324) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID135401324
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCCO/N=C(\C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H16N2O3/c1-4-19-15-9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-8,17H,4H2,1-3H3/b15-9+
InChIKeyPYUBRONKCMYICE-OQLLNIDSSA-N
XLogP2.00
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774510
3-[N-[(2R)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774511
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135482666
3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
CID 54680599
1-[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]-3-phenylthiourea
CID 135482678

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (CID 135401324) is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is CCO/N=C(\C)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is PYUBRONKCMYICE-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-15-9(2)12-13(17)10-7-5-6-8-11(10)16(3)14(12)18/h5-8,17H,4H2,1-3H3/b15-9+.
What are the key properties of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135401324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).