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

C28H27NO5 — CID 22241449

IUPACethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1c(C)cc(OC)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H27NO5/c1-4-32-28(30)27-19(2)14-24(31-3)16-26(27)34-17-20-8-7-10-23(15-20)33-18-22-13-12-21-9-5-6-11-25(21)29-22/h5-16H,4,17-18H2,1-3H3
InChIKeyYPTWCRJZJCRMFH-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.89
Rot. Bonds9

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

ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (PubChem CID 22241449) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
PubChem CID22241449
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Nameethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
SMILESCCOC(=O)c1c(C)cc(OC)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H27NO5/c1-4-32-28(30)27-19(2)14-24(31-3)16-26(27)34-17-20-8-7-10-23(15-20)33-18-22-13-12-21-9-5-6-11-25(21)29-22/h5-16H,4,17-18H2,1-3H3
InChIKeyYPTWCRJZJCRMFH-UHFFFAOYSA-N
XLogP5.89
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
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
2-[[3-[[2-methyl-4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]phenoxy]methyl]quinoline
CID 22615953
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
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl] acetate
CID 69110498
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The IUPAC name of ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate (CID 22241449) is ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate.
What is the SMILES notation for ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The canonical SMILES for ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is CCOC(=O)c1c(C)cc(OC)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
The InChIKey is YPTWCRJZJCRMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c1-4-32-28(30)27-19(2)14-24(31-3)16-26(27)34-17-20-8-7-10-23(15-20)33-18-22-13-12-21-9-5-6-11-25(21)29-22/h5-16H,4,17-18H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate?
ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate has a molecular weight of 457.53 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate is sourced from PubChem (CID 22241449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).