[1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C47H56N6O7 — CID 68519838

About [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 68519838) has the molecular formula C47H56N6O7 and a molecular weight of 817.00 g/mol. Its IUPAC name is [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 68519838
• Molecular Formula: C47H56N6O7
• Molecular Weight: 817.00 g/mol
• Exact Mass: 816.42
• IUPAC Name: [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CC(Cc1cccc(CC(=O)NCCCCNC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C47H56N6O7/c1-32(50-31-42(55)38-16-18-41(54)46-39(38)17-19-44(57)52-46)28-33-10-9-11-34(29-33)30-45(58)49-24-8-7-23-48-43(56)22-27-53-25-20-36(21-26-53)60-47(59)51-40-15-6-5-14-37(40)35-12-3-2-4-13-35/h2-6,9-19,29,32,36,42,50,54-55H,7-8,20-28,30-31H2,1H3,(H,48,56)(H,49,58)(H,51,59)(H,52,57)
• InChIKey: FSEOZDDTMYBKCO-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 185.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	817.00
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 68519838) is [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CC(Cc1cccc(CC(=O)NCCCCNC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.

What is the InChIKey of [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is FSEOZDDTMYBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56N6O7/c1-32(50-31-42(55)38-16-18-41(54)46-39(38)17-19-44(57)52-46)28-33-10-9-11-34(29-33)30-45(58)49-24-8-7-23-48-43(56)22-27-53-25-20-36(21-26-53)60-47(59)51-40-15-6-5-14-37(40)35-12-3-2-4-13-35/h2-6,9-19,29,32,36,42,50,54-55H,7-8,20-28,30-31H2,1H3,(H,48,56)(H,49,58)(H,51,59)(H,52,57).

What are the key properties of [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 817.00 g/mol, XLogP of 5.81, 19 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 68519838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).