7-isocyano-2-methylquinolizin-4-one

C11H8N2O — CID 21364159

IUPAC7-isocyano-2-methylquinolizin-4-one
SMILES[C-]#[N+]c1ccc2cc(C)cc(=O)n2c1
InChIInChI=1S/C11H8N2O/c1-8-5-10-4-3-9(12-2)7-13(10)11(14)6-8/h3-7H,1H3
InChIKeyMWZLHOODULVBOM-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.16
Rot. Bonds

About 7-isocyano-2-methylquinolizin-4-one

7-isocyano-2-methylquinolizin-4-one (PubChem CID 21364159) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 7-isocyano-2-methylquinolizin-4-one.

Molecular Properties

Compound Name7-isocyano-2-methylquinolizin-4-one
PubChem CID21364159
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name7-isocyano-2-methylquinolizin-4-one
SMILES[C-]#[N+]c1ccc2cc(C)cc(=O)n2c1
InChIInChI=1S/C11H8N2O/c1-8-5-10-4-3-9(12-2)7-13(10)11(14)6-8/h3-7H,1H3
InChIKeyMWZLHOODULVBOM-UHFFFAOYSA-N
XLogP2.16
TPSA25.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-isocyano-2-methylquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
2-methyl-4-oxo-4H-quinolizine-1-carbonitrile
CID 2426546
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
N-methyl-2H-3-isoquinolone
CID 12435498
2-Ethylisoquinolin-3-one
CID 12435499
2,6-Dimethylisoquinolin-3-one
CID 12435501
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
3-Methyl-2-(trifluoromethyl)quinolizin-4-one
CID 59284176
2-(Aminomethyl)-7-fluoro-3-methylquinolizin-4-one
CID 129262542

Frequently Asked Questions

What is the IUPAC name of 7-isocyano-2-methylquinolizin-4-one?
The IUPAC name of 7-isocyano-2-methylquinolizin-4-one (CID 21364159) is 7-isocyano-2-methylquinolizin-4-one.
What is the SMILES notation for 7-isocyano-2-methylquinolizin-4-one?
The canonical SMILES for 7-isocyano-2-methylquinolizin-4-one is [C-]#[N+]c1ccc2cc(C)cc(=O)n2c1.
What is the InChIKey of 7-isocyano-2-methylquinolizin-4-one?
The InChIKey is MWZLHOODULVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-8-5-10-4-3-9(12-2)7-13(10)11(14)6-8/h3-7H,1H3.
What are the key properties of 7-isocyano-2-methylquinolizin-4-one?
7-isocyano-2-methylquinolizin-4-one has a molecular weight of 184.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-2-methylquinolizin-4-one is sourced from PubChem (CID 21364159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).