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

C45H60N6O6 — CID 134394738

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

N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide (PubChem CID 134394738) has the molecular formula C45H60N6O6 and a molecular weight of 781.01 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide
• PubChem CID: 134394738
• Molecular Formula: C45H60N6O6
• Molecular Weight: 781.01 g/mol
• Exact Mass: 780.46
• IUPAC Name: N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide
• SMILES: CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)C5CCCC5)c4)CC3)C2)c1
• InChI: InChI=1S/C45H60N6O6/c1-2-33-14-19-47-41(29-33)50-24-27-57-45(32-50)17-21-49(22-18-45)31-35-7-5-6-34(28-35)15-25-56-26-16-43(55)51(36-8-3-4-9-36)23-20-46-30-40(53)37-10-12-39(52)44-38(37)11-13-42(54)48-44/h5-7,10-14,19,28-29,36,40,46,52-53H,2-4,8-9,15-18,20-27,30-32H2,1H3,(H,48,54)
• InChIKey: FQOGNVOSURAGOB-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 143.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.01
LogP ≤ 5	5.11
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 N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide?

The IUPAC name of N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide (CID 134394738) is N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide.

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

The canonical SMILES for N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide is CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)C5CCCC5)c4)CC3)C2)c1.

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

The InChIKey is FQOGNVOSURAGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H60N6O6/c1-2-33-14-19-47-41(29-33)50-24-27-57-45(32-50)17-21-49(22-18-45)31-35-7-5-6-34(28-35)15-25-56-26-16-43(55)51(36-8-3-4-9-36)23-20-46-30-40(53)37-10-12-39(52)44-38(37)11-13-42(54)48-44/h5-7,10-14,19,28-29,36,40,46,52-53H,2-4,8-9,15-18,20-27,30-32H2,1H3,(H,48,54).

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

N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide has a molecular weight of 781.01 g/mol, XLogP of 5.11, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 134394738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).