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

C20H19ClN4O4 — CID 159636329

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

2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride (PubChem CID 159636329) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride
• PubChem CID: 159636329
• Molecular Formula: C20H19ClN4O4
• Molecular Weight: 414.85 g/mol
• Exact Mass: 414.11
• IUPAC Name: 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride
• SMILES: Cc1ccc2c(c1OCC(=O)O)NC(=CC(=O)c1cccnc1)N1CCN=C21.Cl
• InChI: InChI=1S/C20H18N4O4.ClH/c1-12-4-5-14-18(19(12)28-11-17(26)27)23-16(24-8-7-22-20(14)24)9-15(25)13-3-2-6-21-10-13;/h2-6,9-10,23H,7-8,11H2,1H3,(H,26,27);1H
• InChIKey: HELRJPSAJJBGBU-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.85
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride (CID 159636329) is 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride.

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

The canonical SMILES for 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride is Cc1ccc2c(c1OCC(=O)O)NC(=CC(=O)c1cccnc1)N1CCN=C21.Cl.

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

The InChIKey is HELRJPSAJJBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4.ClH/c1-12-4-5-14-18(19(12)28-11-17(26)27)23-16(24-8-7-22-20(14)24)9-15(25)13-3-2-6-21-10-13;/h2-6,9-10,23H,7-8,11H2,1H3,(H,26,27);1H.

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

2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride has a molecular weight of 414.85 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride is sourced from PubChem (CID 159636329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).