N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide

C15H19N3OS — CID 107749761

IUPACN'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide
SMILESCCC(C)CSc1nc2ccccc2cc1/C(N)=N/O
InChIInChI=1S/C15H19N3OS/c1-3-10(2)9-20-15-12(14(16)18-19)8-11-6-4-5-7-13(11)17-15/h4-8,10,19H,3,9H2,1-2H3,(H2,16,18)
InChIKeyVDJDFVQZCUFTQZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.47
Rot. Bonds5

About N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide

N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide (PubChem CID 107749761) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide
PubChem CID107749761
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide
SMILESCCC(C)CSc1nc2ccccc2cc1/C(N)=N/O
InChIInChI=1S/C15H19N3OS/c1-3-10(2)9-20-15-12(14(16)18-19)8-11-6-4-5-7-13(11)17-15/h4-8,10,19H,3,9H2,1-2H3,(H2,16,18)
InChIKeyVDJDFVQZCUFTQZ-UHFFFAOYSA-N
XLogP3.47
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.47
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

2-(cyclopentylmethylsulfanyl)-N'-hydroxyquinoline-3-carboximidamide
CID 77034247
2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
CID 77034239
N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide
CID 77025114
N'-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)quinoline-3-carboximidamide
CID 77034316
2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107749725
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 77034218
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
CID 77034292
2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
CID 106201905
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide (CID 107749761) is N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide is CCC(C)CSc1nc2ccccc2cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide?
The InChIKey is VDJDFVQZCUFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-10(2)9-20-15-12(14(16)18-19)8-11-6-4-5-7-13(11)17-15/h4-8,10,19H,3,9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide?
N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide has a molecular weight of 289.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide is sourced from PubChem (CID 107749761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).