N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide

C15H18N4O2 — CID 103533970

IUPACN'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
SMILESCOC1CCN(c2nc3ccccc3cc2/C(N)=N/O)C1
InChIInChI=1S/C15H18N4O2/c1-21-11-6-7-19(9-11)15-12(14(16)18-20)8-10-4-2-3-5-13(10)17-15/h2-5,8,11,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyXVOZODGIVBACBU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.55
Rot. Bonds3

About N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide

N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide (PubChem CID 103533970) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
PubChem CID103533970
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
SMILESCOC1CCN(c2nc3ccccc3cc2/C(N)=N/O)C1
InChIInChI=1S/C15H18N4O2/c1-21-11-6-7-19(9-11)15-12(14(16)18-20)8-10-4-2-3-5-13(10)17-15/h2-5,8,11,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyXVOZODGIVBACBU-UHFFFAOYSA-N
XLogP1.55
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 115965334
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103356288
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
CID 77034276
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 64597728
2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide
CID 77034279
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde
CID 102959210
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
CID 77025110

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide (CID 103533970) is N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide is COC1CCN(c2nc3ccccc3cc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide?
The InChIKey is XVOZODGIVBACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-11-6-7-19(9-11)15-12(14(16)18-20)8-10-4-2-3-5-13(10)17-15/h2-5,8,11,20H,6-7,9H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide?
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide is sourced from PubChem (CID 103533970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).