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

C48H70N6O7 — CID 142313636

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

3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane (PubChem CID 142313636) has the molecular formula C48H70N6O7 and a molecular weight of 843.12 g/mol. Its IUPAC name is 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane.

Molecular Properties

• Compound Name: 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane
• PubChem CID: 142313636
• Molecular Formula: C48H70N6O7
• Molecular Weight: 843.12 g/mol
• Exact Mass: 842.53
• IUPAC Name: 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane
• SMILES: CCCOCCC.CCc1ccnc(N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)N(C)CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)c1
• InChI: InChI=1S/C42H56N6O6.C6H14O/c1-3-31-11-17-44-38(28-31)48-23-26-54-42(30-48)15-20-47(21-16-42)19-12-32-5-4-6-33(27-32)13-24-53-25-14-40(52)46(2)22-18-43-29-37(50)34-7-9-36(49)41-35(34)8-10-39(51)45-41;1-3-5-7-6-4-2/h4-11,17,27-28,37,43,49-50H,3,12-16,18-26,29-30H2,1-2H3,(H,45,51);3-6H2,1-2H3
• InChIKey: JPWRFBPXFIMCHT-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 152.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.12
LogP ≤ 5	5.66
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 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane?

The IUPAC name of 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane (CID 142313636) is 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane.

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

The canonical SMILES for 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane is CCCOCCC.CCc1ccnc(N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)N(C)CCNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)c1.

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

The InChIKey is JPWRFBPXFIMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56N6O6.C6H14O/c1-3-31-11-17-44-38(28-31)48-23-26-54-42(30-48)15-20-47(21-16-42)19-12-32-5-4-6-33(27-32)13-24-53-25-14-40(52)46(2)22-18-43-29-37(50)34-7-9-36(49)41-35(34)8-10-39(51)45-41;1-3-5-7-6-4-2/h4-11,17,27-28,37,43,49-50H,3,12-16,18-26,29-30H2,1-2H3,(H,45,51);3-6H2,1-2H3.

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

3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane has a molecular weight of 843.12 g/mol, XLogP of 5.66, 21 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-N-methylpropanamide;1-propoxypropane is sourced from PubChem (CID 142313636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).