N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C16H25N3O2 — CID 76917058

IUPACN'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCC(C)CC(C)Oc1nc2c(cc1C(N)=NO)CCCC2
InChIInChI=1S/C16H25N3O2/c1-10(2)8-11(3)21-16-13(15(17)19-20)9-12-6-4-5-7-14(12)18-16/h9-11,20H,4-8H2,1-3H3,(H2,17,19)
InChIKeyMFEQJROPZRVHCT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.87
Rot. Bonds5

About N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 76917058) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID76917058
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESCC(C)CC(C)Oc1nc2c(cc1C(N)=NO)CCCC2
InChIInChI=1S/C16H25N3O2/c1-10(2)8-11(3)21-16-13(15(17)19-20)9-12-6-4-5-7-14(12)18-16/h9-11,20H,4-8H2,1-3H3,(H2,17,19)
InChIKeyMFEQJROPZRVHCT-UHFFFAOYSA-N
XLogP2.87
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.87
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-methylpentan-2-yloxy)-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-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 76917058) is N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is CC(C)CC(C)Oc1nc2c(cc1C(N)=NO)CCCC2.
What is the InChIKey of N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is MFEQJROPZRVHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)8-11(3)21-16-13(15(17)19-20)9-12-6-4-5-7-14(12)18-16/h9-11,20H,4-8H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 76917058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).