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

C31H39N7O2 — CID 129166145

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

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 129166145) has the molecular formula C31H39N7O2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-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-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
• PubChem CID: 129166145
• Molecular Formula: C31H39N7O2
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.32
• IUPAC Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCOC[C@H]3c3ccccc3)c2c1
• InChI: InChI=1S/C31H39N7O2/c1-22-29(23(2)40-34-22)25-10-11-27-26(20-25)30(38-18-19-39-21-28(38)24-8-6-5-7-9-24)33-31(32-27)37-16-14-36(15-17-37)13-12-35(3)4/h5-11,20,28H,12-19,21H2,1-4H3/t28-/m0/s1
• InChIKey: ZIWQTVTUGSSYDC-NDEPHWFRSA-N
• XLogP: 4.16
• TPSA: 74.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-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-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 129166145) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-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-[(3R)-3-phenylmorpholin-4-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-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(N3CCOC[C@H]3c3ccccc3)c2c1.

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

The InChIKey is ZIWQTVTUGSSYDC-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H39N7O2/c1-22-29(23(2)40-34-22)25-10-11-27-26(20-25)30(38-18-19-39-21-28(38)24-8-6-5-7-9-24)33-31(32-27)37-16-14-36(15-17-37)13-12-35(3)4/h5-11,20,28H,12-19,21H2,1-4H3/t28-/m0/s1.

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

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 541.70 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 129166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).