[1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate

C42H43N5O8 — CID 151589711

About [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate

[1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate (PubChem CID 151589711) has the molecular formula C42H43N5O8 and a molecular weight of 745.83 g/mol. Its IUPAC name is [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

• Compound Name: [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate
• PubChem CID: 151589711
• Molecular Formula: C42H43N5O8
• Molecular Weight: 745.83 g/mol
• Exact Mass: 745.31
• IUPAC Name: [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate
• SMILES: COc1cc2c(ccn2C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C42H43N5O8/c1-54-38-23-35-27(22-28(38)24-43-25-37(50)32-10-12-36(49)41-33(32)11-13-39(51)45-41)14-21-47(35)40(52)17-20-46-18-15-30(16-19-46)55-42(53)44-34-5-3-2-4-31(34)26-6-8-29(48)9-7-26/h2-14,21-23,30,37,43,48-50H,15-20,24-25H2,1H3,(H,44,53)(H,45,51)/t37-/m0/s1
• InChIKey: QIFZAMBSLAANKE-QNGWXLTQSA-N
• XLogP: 6.14
• TPSA: 178.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	745.83
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate?

The IUPAC name of [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate (CID 151589711) is [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate.

What is the SMILES notation for [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate?

The canonical SMILES for [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate is COc1cc2c(ccn2C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.

What is the InChIKey of [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate?

The InChIKey is QIFZAMBSLAANKE-QNGWXLTQSA-N. The full InChI is InChI=1S/C42H43N5O8/c1-54-38-23-35-27(22-28(38)24-43-25-37(50)32-10-12-36(49)41-33(32)11-13-39(51)45-41)14-21-47(35)40(52)17-20-46-18-15-30(16-19-46)55-42(53)44-34-5-3-2-4-31(34)26-6-8-29(48)9-7-26/h2-14,21-23,30,37,43,48-50H,15-20,24-25H2,1H3,(H,44,53)(H,45,51)/t37-/m0/s1.

What are the key properties of [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate?

[1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate has a molecular weight of 745.83 g/mol, XLogP of 6.14, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-6-methoxyindol-1-yl]-3-oxopropyl]piperidin-4-yl] N-[2-(4-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 151589711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).