[4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate

C43H50N4O6 — CID 90239851

About [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate

[4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate (PubChem CID 90239851) has the molecular formula C43H50N4O6 and a molecular weight of 718.90 g/mol. Its IUPAC name is [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate.

Molecular Properties

• Compound Name: [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate
• PubChem CID: 90239851
• Molecular Formula: C43H50N4O6
• Molecular Weight: 718.90 g/mol
• Exact Mass: 718.37
• IUPAC Name: [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate
• SMILES: CNC1CCC(OC(=O)Nc2cc(CCCCOc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)ccc2-c2ccccc2)CC1
• InChI: InChI=1S/C43H50N4O6/c1-44-32-13-17-34(18-14-32)53-43(51)46-38-27-30(12-19-35(38)31-8-3-2-4-9-31)7-5-6-26-52-33-15-10-29(11-16-33)24-25-45-28-40(49)36-20-22-39(48)42-37(36)21-23-41(50)47-42/h2-4,8-12,15-16,19-23,27,32,34,40,44-45,48-49H,5-7,13-14,17-18,24-26,28H2,1H3,(H,46,51)(H,47,50)/t32?,34?,40-/m0/s1
• InChIKey: FBUVULZFDXJOIK-UPSHPWOWSA-N
• XLogP: 7.25
• TPSA: 144.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	718.90
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate?

The IUPAC name of [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate (CID 90239851) is [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate.

What is the SMILES notation for [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate?

The canonical SMILES for [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate is CNC1CCC(OC(=O)Nc2cc(CCCCOc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)ccc2-c2ccccc2)CC1.

What is the InChIKey of [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate?

The InChIKey is FBUVULZFDXJOIK-UPSHPWOWSA-N. The full InChI is InChI=1S/C43H50N4O6/c1-44-32-13-17-34(18-14-32)53-43(51)46-38-27-30(12-19-35(38)31-8-3-2-4-9-31)7-5-6-26-52-33-15-10-29(11-16-33)24-25-45-28-40(49)36-20-22-39(48)42-37(36)21-23-41(50)47-42/h2-4,8-12,15-16,19-23,27,32,34,40,44-45,48-49H,5-7,13-14,17-18,24-26,28H2,1H3,(H,46,51)(H,47,50)/t32?,34?,40-/m0/s1.

What are the key properties of [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate?

[4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate has a molecular weight of 718.90 g/mol, XLogP of 7.25, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(methylamino)cyclohexyl] N-[5-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenoxy]butyl]-2-phenylphenyl]carbamate is sourced from PubChem (CID 90239851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).