[1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C47H55N5O6 — CID 66968070

About [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66968070) has the molecular formula C47H55N5O6 and a molecular weight of 785.99 g/mol. Its IUPAC name is [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 66968070
• Molecular Formula: C47H55N5O6
• Molecular Weight: 785.99 g/mol
• Exact Mass: 785.42
• IUPAC Name: [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCC1CCCC(CNCC(O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)C1
• InChI: InChI=1S/C47H55N5O6/c53-42(39-18-20-43(46-40(39)19-21-45(55)51-46)57-32-33-10-3-1-4-11-33)31-48-29-34-12-9-13-35(28-34)30-49-44(54)24-27-52-25-22-37(23-26-52)58-47(56)50-41-17-8-7-16-38(41)36-14-5-2-6-15-36/h1-8,10-11,14-21,34-35,37,42,48,53H,9,12-13,22-32H2,(H,49,54)(H,50,56)(H,51,55)
• InChIKey: GWFITRSTSLTLGZ-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 145.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.99
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66968070) is [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCC1CCCC(CNCC(O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)C1.

What is the InChIKey of [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is GWFITRSTSLTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N5O6/c53-42(39-18-20-43(46-40(39)19-21-45(55)51-46)57-32-33-10-3-1-4-11-33)31-48-29-34-12-9-13-35(28-34)30-49-44(54)24-27-52-25-22-37(23-26-52)58-47(56)50-41-17-8-7-16-38(41)36-14-5-2-6-15-36/h1-8,10-11,14-21,34-35,37,42,48,53H,9,12-13,22-32H2,(H,49,54)(H,50,56)(H,51,55).

What are the key properties of [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 785.99 g/mol, XLogP of 7.42, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[3-[[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66968070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).