N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide

C39H51N7O6 — CID 134394775

About N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide

N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (PubChem CID 134394775) has the molecular formula C39H51N7O6 and a molecular weight of 713.88 g/mol. Its IUPAC name is N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
• PubChem CID: 134394775
• Molecular Formula: C39H51N7O6
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.39
• IUPAC Name: N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
• SMILES: Cc1cnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(C)CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)nc1
• InChI: InChI=1S/C39H51N7O6/c1-28-23-41-38(42-24-28)46-18-21-52-39(27-46)12-15-45(16-13-39)26-30-5-3-4-29(22-30)10-19-51-20-11-36(50)44(2)17-14-40-25-34(48)31-6-8-33(47)37-32(31)7-9-35(49)43-37/h3-9,22-24,34,40,47-48H,10-21,25-27H2,1-2H3,(H,43,49)/t34-/m0/s1
• InChIKey: QORJJPRXSWJNSA-UMSFTDKQSA-N
• XLogP: 2.93
• TPSA: 156.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?

The IUPAC name of N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (CID 134394775) is N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.

What is the SMILES notation for N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?

The canonical SMILES for N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is Cc1cnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(C)CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)nc1.

What is the InChIKey of N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?

The InChIKey is QORJJPRXSWJNSA-UMSFTDKQSA-N. The full InChI is InChI=1S/C39H51N7O6/c1-28-23-41-38(42-24-28)46-18-21-52-39(27-46)12-15-45(16-13-39)26-30-5-3-4-29(22-30)10-19-51-20-11-36(50)44(2)17-14-40-25-34(48)31-6-8-33(47)37-32(31)7-9-35(49)43-37/h3-9,22-24,34,40,47-48H,10-21,25-27H2,1-2H3,(H,43,49)/t34-/m0/s1.

What are the key properties of N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?

N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide has a molecular weight of 713.88 g/mol, XLogP of 2.93, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methyl-3-[2-[3-[[4-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is sourced from PubChem (CID 134394775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).