4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde

C18H20N4O3 — CID 4873963

About 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde

4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (PubChem CID 4873963) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
• PubChem CID: 4873963
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
• SMILES: Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)CC(c1ccco1)C2
• InChI: InChI=1S/C18H20N4O3/c1-12-17-14(9-13(10-15(17)24)16-3-2-8-25-16)20-18(19-12)22-6-4-21(11-23)5-7-22/h2-3,8,11,13H,4-7,9-10H2,1H3
• InChIKey: GTPIGVPHGRUXQQ-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?

The IUPAC name of 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (CID 4873963) is 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.

What is the SMILES notation for 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?

The canonical SMILES for 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)CC(c1ccco1)C2.

What is the InChIKey of 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?

The InChIKey is GTPIGVPHGRUXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-17-14(9-13(10-15(17)24)16-3-2-8-25-16)20-18(19-12)22-6-4-21(11-23)5-7-22/h2-3,8,11,13H,4-7,9-10H2,1H3.

What are the key properties of 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?

4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 340.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 4873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).