2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide

C19H22N6O4 — CID 135667935

About 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide

2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide (PubChem CID 135667935) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
• PubChem CID: 135667935
• Molecular Formula: C19H22N6O4
• Molecular Weight: 398.42 g/mol
• Exact Mass: 398.17
• IUPAC Name: 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide
• SMILES: COc1c(OCCCn2ccnc2)ccc2c1CN1C(=N2)NC(=O)C1CC(N)=O
• InChI: InChI=1S/C19H22N6O4/c1-28-17-12-10-25-14(9-16(20)26)18(27)23-19(25)22-13(12)3-4-15(17)29-8-2-6-24-7-5-21-11-24/h3-5,7,11,14H,2,6,8-10H2,1H3,(H2,20,26)(H,22,23,27)
• InChIKey: MQFBSPFPVPRTIE-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 124.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.42
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?

The IUPAC name of 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide (CID 135667935) is 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide.

What is the SMILES notation for 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?

The canonical SMILES for 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide is COc1c(OCCCn2ccnc2)ccc2c1CN1C(=N2)NC(=O)C1CC(N)=O.

What is the InChIKey of 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?

The InChIKey is MQFBSPFPVPRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-28-17-12-10-25-14(9-16(20)26)18(27)23-19(25)22-13(12)3-4-15(17)29-8-2-6-24-7-5-21-11-24/h3-5,7,11,14H,2,6,8-10H2,1H3,(H2,20,26)(H,22,23,27).

What are the key properties of 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide?

2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-3-yl]acetamide is sourced from PubChem (CID 135667935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).