N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide

C15H19N5O — CID 77034271

IUPACN'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
SMILESCN1CCN(c2nc3ccccc3cc2C(N)=NO)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-2-3-5-13(11)17-15/h2-5,10,21H,6-9H2,1H3,(H2,16,18)
InChIKeyUDPSWQRWDXAIPU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.08
Rot. Bonds2

About N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide

N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide (PubChem CID 77034271) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
PubChem CID77034271
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
SMILESCN1CCN(c2nc3ccccc3cc2C(N)=NO)CC1
InChIInChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-2-3-5-13(11)17-15/h2-5,10,21H,6-9H2,1H3,(H2,16,18)
InChIKeyUDPSWQRWDXAIPU-UHFFFAOYSA-N
XLogP1.08
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide (CID 77034271) is N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide is CN1CCN(c2nc3ccccc3cc2C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide?
The InChIKey is UDPSWQRWDXAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)15-12(14(16)18-21)10-11-4-2-3-5-13(11)17-15/h2-5,10,21H,6-9H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide?
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide is sourced from PubChem (CID 77034271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).