N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide

C13H11N5O — CID 77025110

IUPACN'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1-n1ccnc1
InChIInChI=1S/C13H11N5O/c14-12(17-19)10-7-9-3-1-2-4-11(9)16-13(10)18-6-5-15-8-18/h1-8,19H,(H2,14,17)
InChIKeyOPLLFAXYIUFACZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.51
Rot. Bonds2

About N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide

N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide (PubChem CID 77025110) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
PubChem CID77025110
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2ccccc2nc1-n1ccnc1
InChIInChI=1S/C13H11N5O/c14-12(17-19)10-7-9-3-1-2-4-11(9)16-13(10)18-6-5-15-8-18/h1-8,19H,(H2,14,17)
InChIKeyOPLLFAXYIUFACZ-UHFFFAOYSA-N
XLogP1.51
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.51
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'}

Analyze N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide (CID 77025110) is N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide is NC(=NO)c1cc2ccccc2nc1-n1ccnc1.
What is the InChIKey of N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide?
The InChIKey is OPLLFAXYIUFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12(17-19)10-7-9-3-1-2-4-11(9)16-13(10)18-6-5-15-8-18/h1-8,19H,(H2,14,17).
What are the key properties of N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide?
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide has a molecular weight of 253.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide is sourced from PubChem (CID 77025110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).