6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide

C12H13N3O3 — CID 135704525

IUPAC6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
SMILESCCOc1ccc2[nH]c(=O)c(/C(N)=N/O)cc2c1
InChIInChI=1S/C12H13N3O3/c1-2-18-8-3-4-10-7(5-8)6-9(11(13)15-17)12(16)14-10/h3-6,17H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyZTHXPLULSYNCCP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.02
Rot. Bonds3

About 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide

6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide (PubChem CID 135704525) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide.

Molecular Properties

Compound Name6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
PubChem CID135704525
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
SMILESCCOc1ccc2[nH]c(=O)c(/C(N)=N/O)cc2c1
InChIInChI=1S/C12H13N3O3/c1-2-18-8-3-4-10-7(5-8)6-9(11(13)15-17)12(16)14-10/h3-6,17H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyZTHXPLULSYNCCP-UHFFFAOYSA-N
XLogP1.02
TPSA100.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide?
The IUPAC name of 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide (CID 135704525) is 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide.
What is the SMILES notation for 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide?
The canonical SMILES for 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide is CCOc1ccc2[nH]c(=O)c(/C(N)=N/O)cc2c1.
What is the InChIKey of 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide?
The InChIKey is ZTHXPLULSYNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-8-3-4-10-7(5-8)6-9(11(13)15-17)12(16)14-10/h3-6,17H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide?
6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide has a molecular weight of 247.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide is sourced from PubChem (CID 135704525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).