1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one

C12H13N3O2 — CID 136671574

IUPAC1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(/C=N\N)c(O)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-2-15-10-6-4-3-5-8(10)11(16)9(7-14-13)12(15)17/h3-7,16H,2,13H2,1H3/b14-7-
InChIKeyFCVHPGGLTDKNPY-AUWJEWJLSA-N
MW231.26 g/mol
LogP1.02
Rot. Bonds2

About 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one

1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one (PubChem CID 136671574) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
PubChem CID136671574
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(/C=N\N)c(O)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-2-15-10-6-4-3-5-8(10)11(16)9(7-14-13)12(15)17/h3-7,16H,2,13H2,1H3/b14-7-
InChIKeyFCVHPGGLTDKNPY-AUWJEWJLSA-N
XLogP1.02
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.02
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

1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
[(E)-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135685377
[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135510232
1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
CID 135498669
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
CID 135688806
[(E)-(1-hexyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
CID 135928582
2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
CID 135442499
1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
CID 135967926
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752
1-ethyl-4,7-dihydroxy-3-phenylquinolin-2-one
CID 54716845
(3E)-1-ethyl-3-[[3-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]quinoline-2,4-dione
CID 135689432
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one?
The IUPAC name of 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one (CID 136671574) is 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one is CCn1c(=O)c(/C=N\N)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one?
The InChIKey is FCVHPGGLTDKNPY-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15-10-6-4-3-5-8(10)11(16)9(7-14-13)12(15)17/h3-7,16H,2,13H2,1H3/b14-7-.
What are the key properties of 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one?
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one has a molecular weight of 231.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one is sourced from PubChem (CID 136671574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).