4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide

C14H17N3O2 — CID 54944051

IUPAC4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
SMILESCCC(C)Oc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-3-9(2)19-13-10-6-4-5-7-12(10)16-8-11(13)14(15)17-18/h4-9,18H,3H2,1-2H3,(H2,15,17)
InChIKeyVQEVHPIAZJSFRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds4

About 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide

4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 54944051) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
PubChem CID54944051
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
SMILESCCC(C)Oc1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-3-9(2)19-13-10-6-4-5-7-12(10)16-8-11(13)14(15)17-18/h4-9,18H,3H2,1-2H3,(H2,15,17)
InChIKeyVQEVHPIAZJSFRV-UHFFFAOYSA-N
XLogP2.51
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
CID 43669918
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950
N'-hydroxy-4-(3-methylbutylsulfanyl)quinoline-3-carboximidamide
CID 107749788
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
4-butan-2-yloxyquinazoline
CID 121007235
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 106669720
4-(butan-2-ylamino)quinoline-3-carbothioamide
CID 43669556
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide (CID 54944051) is 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide is CCC(C)Oc1c(/C(N)=N/O)cnc2ccccc12.
What is the InChIKey of 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is VQEVHPIAZJSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-9(2)19-13-10-6-4-5-7-12(10)16-8-11(13)14(15)17-18/h4-9,18H,3H2,1-2H3,(H2,15,17).
What are the key properties of 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide?
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 54944051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).