N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide

C14H17N3O2 — CID 77034292

IUPACN'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
SMILESCC(C)(C)Oc1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-13-10(12(15)17-18)8-9-6-4-5-7-11(9)16-13/h4-8,18H,1-3H3,(H2,15,17)
InChIKeyAXNWPQJQRSRKTJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds2

About N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide

N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide (PubChem CID 77034292) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
PubChem CID77034292
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
SMILESCC(C)(C)Oc1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-13-10(12(15)17-18)8-9-6-4-5-7-11(9)16-13/h4-8,18H,1-3H3,(H2,15,17)
InChIKeyAXNWPQJQRSRKTJ-UHFFFAOYSA-N
XLogP2.51
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
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 N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide (CID 77034292) is N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide is CC(C)(C)Oc1nc2ccccc2cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide?
The InChIKey is AXNWPQJQRSRKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)19-13-10(12(15)17-18)8-9-6-4-5-7-11(9)16-13/h4-8,18H,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide?
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide is sourced from PubChem (CID 77034292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).