2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole

C38H23N13OS — CID 141144443

About 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole

2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole (PubChem CID 141144443) has the molecular formula C38H23N13OS and a molecular weight of 709.76 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
• PubChem CID: 141144443
• Molecular Formula: C38H23N13OS
• Molecular Weight: 709.76 g/mol
• Exact Mass: 709.19
• IUPAC Name: 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
• SMILES: c1cnc(-c2c(-c3nccs3)c(-c3ccc4ccccc4n3)c(-c3cccnn3)c3c2N(c2ncc[nH]2)C(c2ncco2)N=C3c2cnccn2)nc1
• InChI: InChI=1S/C38H23N13OS/c1-2-6-23-22(5-1)8-9-24(48-23)27-28(25-7-3-12-47-50-25)30-32(26-21-39-13-14-40-26)49-35(36-43-17-19-52-36)51(38-45-15-16-46-38)33(30)31(34-41-10-4-11-42-34)29(27)37-44-18-20-53-37/h1-21,35H,(H,45,46)
• InChIKey: VWXJYKIBKOXLDO-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 173.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	709.76
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole?

The IUPAC name of 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole (CID 141144443) is 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole is c1cnc(-c2c(-c3nccs3)c(-c3ccc4ccccc4n3)c(-c3cccnn3)c3c2N(c2ncc[nH]2)C(c2ncco2)N=C3c2cnccn2)nc1.

What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole?

The InChIKey is VWXJYKIBKOXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N13OS/c1-2-6-23-22(5-1)8-9-24(48-23)27-28(25-7-3-12-47-50-25)30-32(26-21-39-13-14-40-26)49-35(36-43-17-19-52-36)51(38-45-15-16-46-38)33(30)31(34-41-10-4-11-42-34)29(27)37-44-18-20-53-37/h1-21,35H,(H,45,46).

What are the key properties of 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole?

2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole has a molecular weight of 709.76 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141144443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).