[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate

C51H42N2O8 — CID 88626184

IUPAC[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCOc1ccc(C(=O)OC(=O)c2c(C)cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2C)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C51H42N2O8/c1-33-24-44(57-29-35-10-8-14-42(26-35)58-31-40-21-18-37-12-4-6-16-45(37)52-40)25-34(2)49(33)51(55)61-50(54)39-20-23-47(56-3)48(28-39)60-30-36-11-9-15-43(27-36)59-32-41-22-19-38-13-5-7-17-46(38)53-41/h4-28H,29-32H2,1-3H3
InChIKeyOPZVYANGMNEZHT-UHFFFAOYSA-N
MW810.90 g/mol
LogP10.72
Rot. Bonds15

About [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate

[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (PubChem CID 88626184) has the molecular formula C51H42N2O8 and a molecular weight of 810.90 g/mol. Its IUPAC name is [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.

Molecular Properties

Compound Name[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
PubChem CID88626184
Molecular FormulaC51H42N2O8
Molecular Weight810.90 g/mol
Exact Mass810.29
IUPAC Name[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCOc1ccc(C(=O)OC(=O)c2c(C)cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2C)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C51H42N2O8/c1-33-24-44(57-29-35-10-8-14-42(26-35)58-31-40-21-18-37-12-4-6-16-45(37)52-40)25-34(2)49(33)51(55)61-50(54)39-20-23-47(56-3)48(28-39)60-30-36-11-9-15-43(27-36)59-32-41-22-19-38-13-5-7-17-46(38)53-41/h4-28H,29-32H2,1-3H3
InChIKeyOPZVYANGMNEZHT-UHFFFAOYSA-N
XLogP10.72
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.90
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate with MolForge

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Related Compounds

Abt-080
CID 9850972
Methyl 2-(3,3-dimethyl-1-phenylbutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70696345
4-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 9804436
4-[3-[7-(2-Quinolinylmethoxy)-2-naphthyloxy]propyl]benzoic acid
CID 9847235
2,2-Bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 10506295
2,2-Bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10554919
5,5-Bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
CID 10627461
Sodium 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate
CID 23679039
Sodium 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate
CID 23679107
Sodium 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate
CID 23683328
2,2-Dimethyl-3,3-bis(4-(2-quinolylmethoxy)phenyl)propionic acid sodium salt
CID 23686548
4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentanoic acid sodium salt
CID 23690851

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The IUPAC name of [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (CID 88626184) is [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.
What is the SMILES notation for [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The canonical SMILES for [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is COc1ccc(C(=O)OC(=O)c2c(C)cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2C)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The InChIKey is OPZVYANGMNEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2O8/c1-33-24-44(57-29-35-10-8-14-42(26-35)58-31-40-21-18-37-12-4-6-16-45(37)52-40)25-34(2)49(33)51(55)61-50(54)39-20-23-47(56-3)48(28-39)60-30-36-11-9-15-43(27-36)59-32-41-22-19-38-13-5-7-17-46(38)53-41/h4-28H,29-32H2,1-3H3.
What are the key properties of [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
[4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate has a molecular weight of 810.90 g/mol, XLogP of 10.72, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is sourced from PubChem (CID 88626184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).