(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone

C16H20N4O — CID 106774476

IUPAC(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cnc(NN)c3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-10-7-11(2)20(9-10)16(21)14-8-18-15(19-17)13-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19)
InChIKeyKZYQYXHXVUDMKI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds2

About (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone

(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone (PubChem CID 106774476) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
PubChem CID106774476
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cnc(NN)c3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-10-7-11(2)20(9-10)16(21)14-8-18-15(19-17)13-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19)
InChIKeyKZYQYXHXVUDMKI-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone 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 (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The IUPAC name of (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone (CID 106774476) is (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone.
What is the SMILES notation for (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The canonical SMILES for (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone is CC1CC(C)N(C(=O)c2cnc(NN)c3ccccc23)C1.
What is the InChIKey of (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
The InChIKey is KZYQYXHXVUDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-7-11(2)20(9-10)16(21)14-8-18-15(19-17)13-6-4-3-5-12(13)14/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19).
What are the key properties of (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone?
(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone is sourced from PubChem (CID 106774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).