2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C21H24FN5O2 — CID 25420912

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 25420912) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• PubChem CID: 25420912
• Molecular Formula: C21H24FN5O2
• Molecular Weight: 397.45 g/mol
• Exact Mass: 397.19
• IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• SMILES: C[C@@H]1CC(=O)c2cnc(NC(=O)CN3CCN(c4ccccc4F)CC3)nc2C1
• InChI: InChI=1S/C21H24FN5O2/c1-14-10-17-15(19(28)11-14)12-23-21(24-17)25-20(29)13-26-6-8-27(9-7-26)18-5-3-2-4-16(18)22/h2-5,12,14H,6-11,13H2,1H3,(H,23,24,25,29)/t14-/m0/s1
• InChIKey: FNHLLYVFQBRJMI-AWEZNQCLSA-N
• XLogP: 2.14
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.45
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 25420912) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is C[C@@H]1CC(=O)c2cnc(NC(=O)CN3CCN(c4ccccc4F)CC3)nc2C1.

What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The InChIKey is FNHLLYVFQBRJMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-14-10-17-15(19(28)11-14)12-23-21(24-17)25-20(29)13-26-6-8-27(9-7-26)18-5-3-2-4-16(18)22/h2-5,12,14H,6-11,13H2,1H3,(H,23,24,25,29)/t14-/m0/s1.

What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(7S)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 25420912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).