2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

C32H41N7O — CID 129165758

About 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 129165758) has the molecular formula C32H41N7O and a molecular weight of 539.73 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
• PubChem CID: 129165758
• Molecular Formula: C32H41N7O
• Molecular Weight: 539.73 g/mol
• Exact Mass: 539.34
• IUPAC Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCCCC3c3ccccc3)c2c1
• InChI: InChI=1S/C32H41N7O/c1-23-30(24(2)40-35-23)26-13-14-28-27(22-26)31(39-15-9-8-12-29(39)25-10-6-5-7-11-25)34-32(33-28)38-20-18-37(19-21-38)17-16-36(3)4/h5-7,10-11,13-14,22,29H,8-9,12,15-21H2,1-4H3
• InChIKey: YAPPUTHDKOZCBU-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 64.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.73
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?

The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 129165758) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?

The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCCCC3c3ccccc3)c2c1.

What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?

The InChIKey is YAPPUTHDKOZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O/c1-23-30(24(2)40-35-23)26-13-14-28-27(22-26)31(39-15-9-8-12-29(39)25-10-6-5-7-11-25)34-32(33-28)38-20-18-37(19-21-38)17-16-36(3)4/h5-7,10-11,13-14,22,29H,8-9,12,15-21H2,1-4H3.

What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 539.73 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 129165758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).