N'-hydroxy-2-quinolin-7-yloxybutanimidamide

C13H15N3O2 — CID 107313792

IUPACN'-hydroxy-2-quinolin-7-yloxybutanimidamide
SMILESCCC(Oc1ccc2cccnc2c1)/C(N)=N/O
InChIInChI=1S/C13H15N3O2/c1-2-12(13(14)16-17)18-10-6-5-9-4-3-7-15-11(9)8-10/h3-8,12,17H,2H2,1H3,(H2,14,16)
InChIKeyKAYFLCPVNILICW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds4

About N'-hydroxy-2-quinolin-7-yloxybutanimidamide

N'-hydroxy-2-quinolin-7-yloxybutanimidamide (PubChem CID 107313792) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-hydroxy-2-quinolin-7-yloxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-quinolin-7-yloxybutanimidamide
PubChem CID107313792
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-hydroxy-2-quinolin-7-yloxybutanimidamide
SMILESCCC(Oc1ccc2cccnc2c1)/C(N)=N/O
InChIInChI=1S/C13H15N3O2/c1-2-12(13(14)16-17)18-10-6-5-9-4-3-7-15-11(9)8-10/h3-8,12,17H,2H2,1H3,(H2,14,16)
InChIKeyKAYFLCPVNILICW-UHFFFAOYSA-N
XLogP2.14
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
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

(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557
2-(3-bromophenoxy)-N'-hydroxybutanimidamide
CID 76915609
N-methyl-2-quinolin-7-yloxypropan-1-amine
CID 107313762
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
7-(dichloromethoxy)quinoline
CID 174788382
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
3-amino-4-methoxy-2-quinolin-7-yloxybutan-1-ol
CID 107313486
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
7-(2,2-diethoxyethoxy)quinoline
CID 107314200

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-quinolin-7-yloxybutanimidamide?
The IUPAC name of N'-hydroxy-2-quinolin-7-yloxybutanimidamide (CID 107313792) is N'-hydroxy-2-quinolin-7-yloxybutanimidamide.
What is the SMILES notation for N'-hydroxy-2-quinolin-7-yloxybutanimidamide?
The canonical SMILES for N'-hydroxy-2-quinolin-7-yloxybutanimidamide is CCC(Oc1ccc2cccnc2c1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-quinolin-7-yloxybutanimidamide?
The InChIKey is KAYFLCPVNILICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-12(13(14)16-17)18-10-6-5-9-4-3-7-15-11(9)8-10/h3-8,12,17H,2H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-quinolin-7-yloxybutanimidamide?
N'-hydroxy-2-quinolin-7-yloxybutanimidamide has a molecular weight of 245.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-quinolin-7-yloxybutanimidamide is sourced from PubChem (CID 107313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).