2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol

C32H27ClN6O2 — CID 154658320

About 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 154658320) has the molecular formula C32H27ClN6O2 and a molecular weight of 563.06 g/mol. Its IUPAC name is 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol
• PubChem CID: 154658320
• Molecular Formula: C32H27ClN6O2
• Molecular Weight: 563.06 g/mol
• Exact Mass: 562.19
• IUPAC Name: 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol
• SMILES: CC(C)(O)c1cccc(Cc2cnc(Cc3nc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3N)o2)n1
• InChI: InChI=1S/C32H27ClN6O2/c1-32(2,40)26-12-6-11-22(37-26)16-23-18-36-27(41-23)17-25-31(34)39-29(19-8-4-3-5-9-19)30(38-25)21-14-20-10-7-13-35-28(20)24(33)15-21/h3-15,18,40H,16-17H2,1-2H3,(H2,34,39)
• InChIKey: GEAAKESKMAHTDJ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 123.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.06
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol?

The IUPAC name of 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol (CID 154658320) is 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol?

The canonical SMILES for 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cc2cnc(Cc3nc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3N)o2)n1.

What is the InChIKey of 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol?

The InChIKey is GEAAKESKMAHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN6O2/c1-32(2,40)26-12-6-11-22(37-26)16-23-18-36-27(41-23)17-25-31(34)39-29(19-8-4-3-5-9-19)30(38-25)21-14-20-10-7-13-35-28(20)24(33)15-21/h3-15,18,40H,16-17H2,1-2H3,(H2,34,39).

What are the key properties of 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol?

2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 563.06 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 154658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).