N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide

C15H18N4O2 — CID 115965334

IUPACN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2nc1N1CCC(CO)C1
InChIInChI=1S/C15H18N4O2/c16-14(18-21)12-7-11-3-1-2-4-13(11)17-15(12)19-6-5-10(8-19)9-20/h1-4,7,10,20-21H,5-6,8-9H2,(H2,16,18)
InChIKeyJQUDKKHFPHRQFG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.15
Rot. Bonds3

About N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide

N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (PubChem CID 115965334) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
PubChem CID115965334
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2nc1N1CCC(CO)C1
InChIInChI=1S/C15H18N4O2/c16-14(18-21)12-7-11-3-1-2-4-13(11)17-15(12)19-6-5-10(8-19)9-20/h1-4,7,10,20-21H,5-6,8-9H2,(H2,16,18)
InChIKeyJQUDKKHFPHRQFG-UHFFFAOYSA-N
XLogP1.15
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
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-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103356288
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 64597728
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
2-bromo-N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278801
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
CID 77025110
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (CID 115965334) is N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is N/C(=N/O)c1cc2ccccc2nc1N1CCC(CO)C1.
What is the InChIKey of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The InChIKey is JQUDKKHFPHRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-14(18-21)12-7-11-3-1-2-4-13(11)17-15(12)19-6-5-10(8-19)9-20/h1-4,7,10,20-21H,5-6,8-9H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is sourced from PubChem (CID 115965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).