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

C45H66N6O7 — CID 142313395

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

ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (PubChem CID 142313395) has the molecular formula C45H66N6O7 and a molecular weight of 803.06 g/mol. Its IUPAC name is ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.

Molecular Properties

• Compound Name: ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
• PubChem CID: 142313395
• Molecular Formula: C45H66N6O7
• Molecular Weight: 803.06 g/mol
• Exact Mass: 802.50
• IUPAC Name: ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
• SMILES: CC.CC.CCN(CCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)CCOCCc1cccc(CN2CCC3(CC2)CN(c2cc(OC)ccn2)CCO3)c1
• InChI: InChI=1S/C41H54N6O7.2C2H6/c1-3-46(20-17-42-27-36(49)33-7-9-35(48)40-34(33)8-10-38(50)44-40)39(51)13-23-53-22-12-30-5-4-6-31(25-30)28-45-18-14-41(15-19-45)29-47(21-24-54-41)37-26-32(52-2)11-16-43-37;2*1-2/h4-11,16,25-26,36,42,48-49H,3,12-15,17-24,27-29H2,1-2H3,(H,44,50);2*1-2H3
• InChIKey: QXGBNNDDXWBOGV-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 152.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	803.06
LogP ≤ 5	5.68
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 ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?

The IUPAC name of ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (CID 142313395) is ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.

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

The canonical SMILES for ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is CC.CC.CCN(CCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)CCOCCc1cccc(CN2CCC3(CC2)CN(c2cc(OC)ccn2)CCO3)c1.

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

The InChIKey is QXGBNNDDXWBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N6O7.2C2H6/c1-3-46(20-17-42-27-36(49)33-7-9-35(48)40-34(33)8-10-38(50)44-40)39(51)13-23-53-22-12-30-5-4-6-31(25-30)28-45-18-14-41(15-19-45)29-47(21-24-54-41)37-26-32(52-2)11-16-43-37;2*1-2/h4-11,16,25-26,36,42,48-49H,3,12-15,17-24,27-29H2,1-2H3,(H,44,50);2*1-2H3.

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

ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide has a molecular weight of 803.06 g/mol, XLogP of 5.68, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethyl-N-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]-3-[2-[3-[[4-(4-methoxy-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is sourced from PubChem (CID 142313395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).