5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C36H43F2N5O6S — CID 143843619

About 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 143843619) has the molecular formula C36H43F2N5O6S and a molecular weight of 711.83 g/mol. Its IUPAC name is 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• PubChem CID: 143843619
• Molecular Formula: C36H43F2N5O6S
• Molecular Weight: 711.83 g/mol
• Exact Mass: 711.29
• IUPAC Name: 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• SMILES: CC(C)c1nc(C(=O)N2CCOC3(CCN(CCOc4ccc(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c(F)c4F)CC3)C2)cs1
• InChI: InChI=1S/C36H43F2N5O6S/c1-22(2)34-40-26(20-50-34)35(47)43-16-18-49-36(21-43)10-13-42(14-11-36)15-17-48-29-7-3-23(31(37)32(29)38)9-12-39-19-28(45)24-4-6-27(44)33-25(24)5-8-30(46)41-33/h3-8,20,22,28,39,44-45H,9-19,21H2,1-2H3,(H,41,46)
• InChIKey: UPMFQCUBHDYUOS-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 140.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	711.83
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The IUPAC name of 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 143843619) is 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

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

The canonical SMILES for 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is CC(C)c1nc(C(=O)N2CCOC3(CCN(CCOc4ccc(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c(F)c4F)CC3)C2)cs1.

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

The InChIKey is UPMFQCUBHDYUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43F2N5O6S/c1-22(2)34-40-26(20-50-34)35(47)43-16-18-49-36(21-43)10-13-42(14-11-36)15-17-48-29-7-3-23(31(37)32(29)38)9-12-39-19-28(45)24-4-6-27(44)33-25(24)5-8-30(46)41-33/h3-8,20,22,28,39,44-45H,9-19,21H2,1-2H3,(H,41,46).

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

5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 711.83 g/mol, XLogP of 4.34, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2,3-difluoro-4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 143843619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).