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

C16H24N4O — CID 76916930

IUPACN'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCC1CCN(c2nc3c(cc2C(N)=NO)CCCC3)CC1
InChIInChI=1S/C16H24N4O/c1-11-6-8-20(9-7-11)16-13(15(17)19-21)10-12-4-2-3-5-14(12)18-16/h10-11,21H,2-9H2,1H3,(H2,17,19)
InChIKeyPZKYXPMRFOAYJI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds2

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

N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 76916930) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID76916930
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCC1CCN(c2nc3c(cc2C(N)=NO)CCCC3)CC1
InChIInChI=1S/C16H24N4O/c1-11-6-8-20(9-7-11)16-13(15(17)19-21)10-12-4-2-3-5-14(12)18-16/h10-11,21H,2-9H2,1H3,(H2,17,19)
InChIKeyPZKYXPMRFOAYJI-UHFFFAOYSA-N
XLogP2.29
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methylpiperidin-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-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 76916930) is N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is CC1CCN(c2nc3c(cc2C(N)=NO)CCCC3)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is PZKYXPMRFOAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-6-8-20(9-7-11)16-13(15(17)19-21)10-12-4-2-3-5-14(12)18-16/h10-11,21H,2-9H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 288.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 76916930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).