About 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid (PubChem CID 159671064) has the molecular formula C75H63N3O13
and a molecular weight of 1214.34 g/mol. Its IUPAC name is 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid.
Molecular Properties
| Compound Name | 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid |
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| PubChem CID | 159671064 |
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| Molecular Formula | C75H63N3O13 |
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| Molecular Weight | 1214.34 g/mol |
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| Exact Mass | 1213.44 |
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| IUPAC Name | 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid |
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| SMILES | COc1cc(C(=O)O)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc1C(=O)O.Cc1ccc(C(=O)O)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1 |
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| InChI | InChI=1S/C25H21NO5.2C25H21NO4/c1-29-24-14-19(25(27)28)10-12-23(24)31-15-17-5-4-7-21(13-17)30-16-20-11-9-18-6-2-3-8-22(18)26-20;1-17-13-22(11-12-23(17)25(27)28)29-15-18-5-4-7-21(14-18)30-16-20-10-9-19-6-2-3-8-24(19)26-20;1-17-9-10-20(25(27)28)14-24(17)30-15-18-5-4-7-22(13-18)29-16-21-12-11-19-6-2-3-8-23(19)26-21/h2-14H,15-16H2,1H3,(H,27,28);2*2-14H,15-16H2,1H3,(H,27,28) |
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| InChIKey | MTZUBSPZJGPZLU-UHFFFAOYSA-N |
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| XLogP | 15.90 |
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| TPSA | 215.18 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 91 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1214.34 |
| LogP ≤ 5 | 15.90 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 13 |
Analyze 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The IUPAC name of 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid (CID 159671064) is 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The canonical SMILES for 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid is COc1cc(C(=O)O)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc1C(=O)O.Cc1ccc(C(=O)O)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The InChIKey is MTZUBSPZJGPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5.2C25H21NO4/c1-29-24-14-19(25(27)28)10-12-23(24)31-15-17-5-4-7-21(13-17)30-16-20-11-9-18-6-2-3-8-22(18)26-20;1-17-13-22(11-12-23(17)25(27)28)29-15-18-5-4-7-21(14-18)30-16-20-10-9-19-6-2-3-8-24(19)26-20;1-17-9-10-20(25(27)28)14-24(17)30-15-18-5-4-7-22(13-18)29-16-21-12-11-19-6-2-3-8-23(19)26-21/h2-14H,15-16H2,1H3,(H,27,28);2*2-14H,15-16H2,1H3,(H,27,28).
What are the key properties of 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid has a molecular weight of 1214.34 g/mol, XLogP of 15.90, 22 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 159671064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).