(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide

C16H21N3O2 — CID 135703571

IUPAC(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide
SMILESCc1cc2c(c(C)c1C)CC(C)(C)N=C2/C(=N/O)C(N)=O
InChIInChI=1S/C16H21N3O2/c1-8-6-11-12(10(3)9(8)2)7-16(4,5)18-13(11)14(19-21)15(17)20/h6,21H,7H2,1-5H3,(H2,17,20)/b19-14-
InChIKeyNNSQCWDDRNPOGZ-RGEXLXHISA-N
MW287.36 g/mol
LogP2.05
Rot. Bonds2

About (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide

(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide (PubChem CID 135703571) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide
PubChem CID135703571
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide
SMILESCc1cc2c(c(C)c1C)CC(C)(C)N=C2/C(=N/O)C(N)=O
InChIInChI=1S/C16H21N3O2/c1-8-6-11-12(10(3)9(8)2)7-16(4,5)18-13(11)14(19-21)15(17)20/h6,21H,7H2,1-5H3,(H2,17,20)/b19-14-
InChIKeyNNSQCWDDRNPOGZ-RGEXLXHISA-N
XLogP2.05
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide 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 (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide (CID 135703571) is (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide is Cc1cc2c(c(C)c1C)CC(C)(C)N=C2/C(=N/O)C(N)=O.
What is the InChIKey of (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide?
The InChIKey is NNSQCWDDRNPOGZ-RGEXLXHISA-N. The full InChI is InChI=1S/C16H21N3O2/c1-8-6-11-12(10(3)9(8)2)7-16(4,5)18-13(11)14(19-21)15(17)20/h6,21H,7H2,1-5H3,(H2,17,20)/b19-14-.
What are the key properties of (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide?
(2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-(3,3,5,6,7-pentamethyl-4H-isoquinolin-1-yl)acetamide is sourced from PubChem (CID 135703571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).