2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride

C21H22ClN5O4 — CID 162334360

About 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride

2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride (PubChem CID 162334360) has the molecular formula C21H22ClN5O4 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride
• PubChem CID: 162334360
• Molecular Formula: C21H22ClN5O4
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.14
• IUPAC Name: 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride
• SMILES: CNC(=O)COc1ccc2c(c1OC)NC(=CC(=O)c1cccnc1)N1CCN=C21.Cl
• InChI: InChI=1S/C21H21N5O4.ClH/c1-22-18(28)12-30-16-6-5-14-19(20(16)29-2)25-17(26-9-8-24-21(14)26)10-15(27)13-4-3-7-23-11-13;/h3-7,10-11,25H,8-9,12H2,1-2H3,(H,22,28);1H
• InChIKey: GCGVNCFWVNZOBB-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 105.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride?

The IUPAC name of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride (CID 162334360) is 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride.

What is the SMILES notation for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride?

The canonical SMILES for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride is CNC(=O)COc1ccc2c(c1OC)NC(=CC(=O)c1cccnc1)N1CCN=C21.Cl.

What is the InChIKey of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride?

The InChIKey is GCGVNCFWVNZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4.ClH/c1-22-18(28)12-30-16-6-5-14-19(20(16)29-2)25-17(26-9-8-24-21(14)26)10-15(27)13-4-3-7-23-11-13;/h3-7,10-11,25H,8-9,12H2,1-2H3,(H,22,28);1H.

What are the key properties of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride?

2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride has a molecular weight of 443.89 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 162334360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).