ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate

C34H31NO5 — CID 22241520

IUPACethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCc1ccccc1
InChIInChI=1S/C34H31NO5/c1-3-37-34(36)33-24(2)18-30(20-32(33)40-21-25-10-5-4-6-11-25)38-22-26-12-9-14-29(19-26)39-23-28-17-16-27-13-7-8-15-31(27)35-28/h4-20H,3,21-23H2,1-2H3
InChIKeyQMAGFLUPXWHXHW-UHFFFAOYSA-N
MW533.62 g/mol
LogP7.46
Rot. Bonds11

About ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate

ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (PubChem CID 22241520) has the molecular formula C34H31NO5 and a molecular weight of 533.62 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
PubChem CID22241520
Molecular FormulaC34H31NO5
Molecular Weight533.62 g/mol
Exact Mass533.22
IUPAC Nameethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCc1ccccc1
InChIInChI=1S/C34H31NO5/c1-3-37-34(36)33-24(2)18-30(20-32(33)40-21-25-10-5-4-6-11-25)38-22-26-12-9-14-29(19-26)39-23-28-17-16-27-13-7-8-15-31(27)35-28/h4-20H,3,21-23H2,1-2H3
InChIKeyQMAGFLUPXWHXHW-UHFFFAOYSA-N
XLogP7.46
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate with MolForge

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Related Compounds

ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241449
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
3-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxymethyl]benzoic acid
CID 161418651
ethyl 2-(cyclohexylmethoxy)-6-methyl-4-phenylmethoxybenzoate
CID 18008042
2-[[3-[[2-methyl-4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]phenoxy]methyl]quinoline
CID 22615953
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate
CID 20597952
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl] acetate
CID 69110498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The IUPAC name of ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (CID 22241520) is ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.
What is the SMILES notation for ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The canonical SMILES for ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is CCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCc1ccccc1.
What is the InChIKey of ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The InChIKey is QMAGFLUPXWHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO5/c1-3-37-34(36)33-24(2)18-30(20-32(33)40-21-25-10-5-4-6-11-25)38-22-26-12-9-14-29(19-26)39-23-28-17-16-27-13-7-8-15-31(27)35-28/h4-20H,3,21-23H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate has a molecular weight of 533.62 g/mol, XLogP of 7.46, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is sourced from PubChem (CID 22241520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).