2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine

C38H21N11OS2 — CID 141377640

About 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine

2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 141377640) has the molecular formula C38H21N11OS2 and a molecular weight of 711.80 g/mol. Its IUPAC name is 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 141377640
• Molecular Formula: C38H21N11OS2
• Molecular Weight: 711.80 g/mol
• Exact Mass: 711.14
• IUPAC Name: 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1ccc2nc(N3C(c4snc5cccnc45)=C(c4nc5cccnc5s4)NC3(c3ncc4ccccc4n3)c3nc4cccnc4o3)ccc2c1
• InChI: InChI=1S/C38H21N11OS2/c1-3-10-23-21(8-1)15-16-28(43-23)49-31(32-29-25(48-52-32)12-5-17-39-29)30(35-44-27-14-7-19-41-34(27)51-35)47-38(49,37-46-26-13-6-18-40-33(26)50-37)36-42-20-22-9-2-4-11-24(22)45-36/h1-20,47H
• InChIKey: OZRKWJUFDUHSME-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 144.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	711.80
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?

The IUPAC name of 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine (CID 141377640) is 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?

The canonical SMILES for 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine is c1ccc2nc(N3C(c4snc5cccnc45)=C(c4nc5cccnc5s4)NC3(c3ncc4ccccc4n3)c3nc4cccnc4o3)ccc2c1.

What is the InChIKey of 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?

The InChIKey is OZRKWJUFDUHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N11OS2/c1-3-10-23-21(8-1)15-16-28(43-23)49-31(32-29-25(48-52-32)12-5-17-39-29)30(35-44-27-14-7-19-41-34(27)51-35)47-38(49,37-46-26-13-6-18-40-33(26)50-37)36-42-20-22-9-2-4-11-24(22)45-36/h1-20,47H.

What are the key properties of 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine?

2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 711.80 g/mol, XLogP of 7.56, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-quinazolin-2-yl-3-quinolin-2-yl-4-([1,2]thiazolo[4,3-b]pyridin-3-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-imidazol-2-yl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 141377640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).