8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one

C37H44N4O5 — CID 143623962

About 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one (PubChem CID 143623962) has the molecular formula C37H44N4O5 and a molecular weight of 624.78 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one
• PubChem CID: 143623962
• Molecular Formula: C37H44N4O5
• Molecular Weight: 624.78 g/mol
• Exact Mass: 624.33
• IUPAC Name: 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one
• SMILES: CN(CCCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
• InChI: InChI=1S/C37H44N4O5/c1-41(26-29-24-39-36(46-29)37(45,27-14-8-6-9-15-27)28-16-10-7-11-17-28)23-13-5-3-2-4-12-22-38-25-33(43)30-18-20-32(42)35-31(30)19-21-34(44)40-35/h6-11,14-21,24,33,38,42-43,45H,2-5,12-13,22-23,25-26H2,1H3,(H,40,44)
• InChIKey: GWJWDIWKTZUKRR-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 134.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.78
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one?

The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one (CID 143623962) is 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one.

What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one?

The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one is CN(CCCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1.

What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one?

The InChIKey is GWJWDIWKTZUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O5/c1-41(26-29-24-39-36(46-29)37(45,27-14-8-6-9-15-27)28-16-10-7-11-17-28)23-13-5-3-2-4-12-22-38-25-33(43)30-18-20-32(42)35-31(30)19-21-34(44)40-35/h6-11,14-21,24,33,38,42-43,45H,2-5,12-13,22-23,25-26H2,1H3,(H,40,44).

What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one?

8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one has a molecular weight of 624.78 g/mol, XLogP of 5.60, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-5-[1-hydroxy-2-[8-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]octylamino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 143623962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).