5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide

C22H19IN2O — CID 154734819

IUPAC5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
SMILESCC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21.I
InChIInChI=1S/C22H18N2O.HI/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20;/h3-14H,1-2H3;1H
InChIKeyMNAHQEBGYKILRR-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.27
Rot. Bonds1

About 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide

5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide (PubChem CID 154734819) has the molecular formula C22H19IN2O and a molecular weight of 454.31 g/mol. Its IUPAC name is 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide.

Molecular Properties

Compound Name5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
PubChem CID154734819
Molecular FormulaC22H19IN2O
Molecular Weight454.31 g/mol
Exact Mass454.05
IUPAC Name5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
SMILESCC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21.I
InChIInChI=1S/C22H18N2O.HI/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20;/h3-14H,1-2H3;1H
InChIKeyMNAHQEBGYKILRR-UHFFFAOYSA-N
XLogP5.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide 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 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide?
The IUPAC name of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide (CID 154734819) is 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide.
What is the SMILES notation for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide?
The canonical SMILES for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide is CC1=CC(=CC=C2C=CN(C)c3ccccc32)C(=O)c2ncccc21.I.
What is the InChIKey of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide?
The InChIKey is MNAHQEBGYKILRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O.HI/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20;/h3-14H,1-2H3;1H.
What are the key properties of 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide?
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide has a molecular weight of 454.31 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide is sourced from PubChem (CID 154734819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).