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

C15H18N4O2 — CID 77034286

IUPACN'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C15H18N4O2/c16-14(18-21)12-8-10-4-1-2-6-13(10)17-15(12)19-7-3-5-11(19)9-20/h1-2,4,6,8,11,20-21H,3,5,7,9H2,(H2,16,18)
InChIKeyBTJMLZMXTJHPBZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.29
Rot. Bonds3

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

N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (PubChem CID 77034286) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
PubChem CID77034286
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C15H18N4O2/c16-14(18-21)12-8-10-4-1-2-6-13(10)17-15(12)19-7-3-5-11(19)9-20/h1-2,4,6,8,11,20-21H,3,5,7,9H2,(H2,16,18)
InChIKeyBTJMLZMXTJHPBZ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (CID 77034286) is N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is NC(=NO)c1cc2ccccc2nc1N1CCCC1CO.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The InChIKey is BTJMLZMXTJHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-14(18-21)12-8-10-4-1-2-6-13(10)17-15(12)19-7-3-5-11(19)9-20/h1-2,4,6,8,11,20-21H,3,5,7,9H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is sourced from PubChem (CID 77034286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).