2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid

C27H23NO7 — CID 10183873

IUPAC2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid
SMILESCOC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCC(=O)O
InChIInChI=1S/C27H23NO7/c1-32-27(31)23-12-9-18(13-25(23)35-17-26(29)30)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-24(19)28-20/h2-14H,15-17H2,1H3,(H,29,30)
InChIKeyIWEXAKGNIWPCAS-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.64
Rot. Bonds10

About 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid

2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid (PubChem CID 10183873) has the molecular formula C27H23NO7 and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid
PubChem CID10183873
Molecular FormulaC27H23NO7
Molecular Weight473.48 g/mol
Exact Mass473.15
IUPAC Name2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid
SMILESCOC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCC(=O)O
InChIInChI=1S/C27H23NO7/c1-32-27(31)23-12-9-18(13-25(23)35-17-26(29)30)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-24(19)28-20/h2-14H,15-17H2,1H3,(H,29,30)
InChIKeyIWEXAKGNIWPCAS-UHFFFAOYSA-N
XLogP4.64
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid (CID 10183873) is 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid is COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid?
The InChIKey is IWEXAKGNIWPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO7/c1-32-27(31)23-12-9-18(13-25(23)35-17-26(29)30)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-24(19)28-20/h2-14H,15-17H2,1H3,(H,29,30).
What are the key properties of 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid?
2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid has a molecular weight of 473.48 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxycarbonyl-5-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid is sourced from PubChem (CID 10183873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).