N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C13H14IN5O — CID 77039424

IUPACN'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1-n1cc(I)cn1)CCCC2
InChIInChI=1S/C13H14IN5O/c14-9-6-16-19(7-9)13-10(12(15)18-20)5-8-3-1-2-4-11(8)17-13/h5-7,20H,1-4H2,(H2,15,18)
InChIKeyHHLGMPIEJSPZJZ-UHFFFAOYSA-N
MW383.19 g/mol
LogP1.85
Rot. Bonds2

About N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 77039424) has the molecular formula C13H14IN5O and a molecular weight of 383.19 g/mol. Its IUPAC name is N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID77039424
Molecular FormulaC13H14IN5O
Molecular Weight383.19 g/mol
Exact Mass383.02
IUPAC NameN'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1-n1cc(I)cn1)CCCC2
InChIInChI=1S/C13H14IN5O/c14-9-6-16-19(7-9)13-10(12(15)18-20)5-8-3-1-2-4-11(8)17-13/h5-7,20H,1-4H2,(H2,15,18)
InChIKeyHHLGMPIEJSPZJZ-UHFFFAOYSA-N
XLogP1.85
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 51.85
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-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-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 77039424) is N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is NC(=NO)c1cc2c(nc1-n1cc(I)cn1)CCCC2.
What is the InChIKey of N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is HHLGMPIEJSPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN5O/c14-9-6-16-19(7-9)13-10(12(15)18-20)5-8-3-1-2-4-11(8)17-13/h5-7,20H,1-4H2,(H2,15,18).
What are the key properties of N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
N'-hydroxy-2-(4-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 383.19 g/mol, XLogP of 1.85, 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-iodopyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 77039424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).