2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide

C14H15N3O2 — CID 77034279

IUPAC2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1OC1CCC1
InChIInChI=1S/C14H15N3O2/c15-13(17-18)11-8-9-4-1-2-7-12(9)16-14(11)19-10-5-3-6-10/h1-2,4,7-8,10,18H,3,5-6H2,(H2,15,17)
InChIKeyWIBSIAGPLYBYMI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.26
Rot. Bonds3

About 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide

2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 77034279) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide
PubChem CID77034279
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1OC1CCC1
InChIInChI=1S/C14H15N3O2/c15-13(17-18)11-8-9-4-1-2-7-12(9)16-14(11)19-10-5-3-6-10/h1-2,4,7-8,10,18H,3,5-6H2,(H2,15,17)
InChIKeyWIBSIAGPLYBYMI-UHFFFAOYSA-N
XLogP2.26
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide (CID 77034279) is 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide is NC(=NO)c1cc2ccccc2nc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is WIBSIAGPLYBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13(17-18)11-8-9-4-1-2-7-12(9)16-14(11)19-10-5-3-6-10/h1-2,4,7-8,10,18H,3,5-6H2,(H2,15,17).
What are the key properties of 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide?
2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 77034279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).