8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one

C37H47N5O5S — CID 143843659

About 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one (PubChem CID 143843659) has the molecular formula C37H47N5O5S and a molecular weight of 673.88 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
• PubChem CID: 143843659
• Molecular Formula: C37H47N5O5S
• Molecular Weight: 673.88 g/mol
• Exact Mass: 673.33
• IUPAC Name: 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
• SMILES: CCC(CC)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)cs1
• InChI: InChI=1S/C37H47N5O5S/c1-3-27(4-2)35-39-30(23-48-35)36(46)42-18-19-47-37(24-42)13-16-41(17-14-37)22-26-7-5-6-25(20-26)12-15-38-21-32(44)28-8-10-31(43)34-29(28)9-11-33(45)40-34/h5-11,20,23,27,32,38,43-44H,3-4,12-19,21-22,24H2,1-2H3,(H,40,45)
• InChIKey: YOAYQDSDLXRUIM-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 131.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.88
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one?

The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one (CID 143843659) is 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one.

What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one?

The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one is CCC(CC)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)cs1.

What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one?

The InChIKey is YOAYQDSDLXRUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N5O5S/c1-3-27(4-2)35-39-30(23-48-35)36(46)42-18-19-47-37(24-42)13-16-41(17-14-37)22-26-7-5-6-25(20-26)12-15-38-21-32(44)28-8-10-31(43)34-29(28)9-11-33(45)40-34/h5-11,20,23,27,32,38,43-44H,3-4,12-19,21-22,24H2,1-2H3,(H,40,45).

What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one?

8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one has a molecular weight of 673.88 g/mol, XLogP of 4.97, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-5-[1-hydroxy-2-[2-[3-[[4-(2-pentan-3-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 143843659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).