2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol

C26H29ClN6O2 — CID 129165794

About 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 129165794) has the molecular formula C26H29ClN6O2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 129165794
• Molecular Formula: C26H29ClN6O2
• Molecular Weight: 493.01 g/mol
• Exact Mass: 492.20
• IUPAC Name: 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCN(CCO)CC3)nc(NCc3cccc(Cl)c3)c2c1
• InChI: InChI=1S/C26H29ClN6O2/c1-17-24(18(2)35-31-17)20-6-7-23-22(15-20)25(28-16-19-4-3-5-21(27)14-19)30-26(29-23)33-10-8-32(9-11-33)12-13-34/h3-7,14-15,34H,8-13,16H2,1-2H3,(H,28,29,30)
• InChIKey: RIRKLZBMHZZQQK-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 90.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.01
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 129165794) is 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol is Cc1noc(C)c1-c1ccc2nc(N3CCN(CCO)CC3)nc(NCc3cccc(Cl)c3)c2c1.

What is the InChIKey of 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is RIRKLZBMHZZQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O2/c1-17-24(18(2)35-31-17)20-6-7-23-22(15-20)25(28-16-19-4-3-5-21(27)14-19)30-26(29-23)33-10-8-32(9-11-33)12-13-34/h3-7,14-15,34H,8-13,16H2,1-2H3,(H,28,29,30).

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

2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 493.01 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 129165794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).