3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one

C12H13N3O2 — CID 135454306

IUPAC3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\N)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-7(14-13)10-11(16)8-5-3-4-6-9(8)15(2)12(10)17/h3-6,16H,13H2,1-2H3/b14-7+
InChIKeyQWHQMWSWCLGICH-VGOFMYFVSA-N
MW231.25 g/mol
LogP0.93
Rot. Bonds1

About 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one

3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135454306) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID135454306
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\N)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-7(14-13)10-11(16)8-5-3-4-6-9(8)15(2)12(10)17/h3-6,16H,13H2,1-2H3/b14-7+
InChIKeyQWHQMWSWCLGICH-VGOFMYFVSA-N
XLogP0.93
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
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
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135482666
4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135457185
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
1-[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]-3-phenylthiourea
CID 135482678
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022

Frequently Asked Questions

What is the IUPAC name of 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one (CID 135454306) is 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one is C/C(=N\N)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is QWHQMWSWCLGICH-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7(14-13)10-11(16)8-5-3-4-6-9(8)15(2)12(10)17/h3-6,16H,13H2,1-2H3/b14-7+.
What are the key properties of 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one?
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135454306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).