N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide

C11H13N3O2 — CID 141154790

IUPACN'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
SMILESN/C(CN1C(=O)CCc2ccccc21)=N\O
InChIInChI=1S/C11H13N3O2/c12-10(13-16)7-14-9-4-2-1-3-8(9)5-6-11(14)15/h1-4,16H,5-7H2,(H2,12,13)
InChIKeyXZPZCLYHBDZKAN-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.71
Rot. Bonds2

About N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide

N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide (PubChem CID 141154790) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
PubChem CID141154790
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
SMILESN/C(CN1C(=O)CCc2ccccc21)=N\O
InChIInChI=1S/C11H13N3O2/c12-10(13-16)7-14-9-4-2-1-3-8(9)5-6-11(14)15/h1-4,16H,5-7H2,(H2,12,13)
InChIKeyXZPZCLYHBDZKAN-UHFFFAOYSA-N
XLogP0.71
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 62018999
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide (CID 141154790) is N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide is N/C(CN1C(=O)CCc2ccccc21)=N\O.
What is the InChIKey of N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide?
The InChIKey is XZPZCLYHBDZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(13-16)7-14-9-4-2-1-3-8(9)5-6-11(14)15/h1-4,16H,5-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide?
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide has a molecular weight of 219.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide is sourced from PubChem (CID 141154790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).