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

C18H20N4O2S — CID 7601708

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

4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (PubChem CID 7601708) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
• PubChem CID: 7601708
• Molecular Formula: C18H20N4O2S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.13
• IUPAC Name: 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
• SMILES: Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2
• InChI: InChI=1S/C18H20N4O2S/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/t13-/m0/s1
• InChIKey: QGIOSNKSAGNDTM-ZDUSSCGKSA-N
• XLogP: 2.04
• TPSA: 66.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	2.04
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-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde?

The IUPAC name of 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde (CID 7601708) is 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde.

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

The canonical SMILES for 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2.

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

The InChIKey is QGIOSNKSAGNDTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2S/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/t13-/m0/s1.

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

4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 356.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 7601708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).