ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline

C187H182N20O21 — CID 161214186

About ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline

ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (PubChem CID 161214186) has the molecular formula C187H182N20O21 and a molecular weight of 3045.63 g/mol. Its IUPAC name is ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
• PubChem CID: 161214186
• Molecular Formula: C187H182N20O21
• Molecular Weight: 3045.63 g/mol
• Exact Mass: 3043.38
• IUPAC Name: ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C.C.C.C.CC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(-c2nn[nH]n2)c1.CCOC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1cc(Cn2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc(-c2nn[nH]n2)c1
• InChI: InChI=1S/C27H25NO5.C26H20N6O.2C26H23N5O.2C25H21NO5.C25H21NO3.7CH4/c1-2-30-27(29)19-33-23-11-7-20(8-12-23)17-31-24-13-15-25(16-14-24)32-18-22-10-9-21-5-3-4-6-26(21)28-22;1-2-7-24-19(5-1)8-10-22(27-24)17-33-23-11-9-20-12-13-32(25(20)15-23)16-18-4-3-6-21(14-18)26-28-30-31-29-26;1-18(21-6-4-7-22(16-21)26-28-30-31-29-26)15-19-9-13-24(14-10-19)32-17-23-12-11-20-5-2-3-8-25(20)27-23;1-2-10-25-22(8-1)13-14-23(27-25)18-32-24-9-4-6-20(16-24)12-11-19-5-3-7-21(15-19)17-26-28-30-31-29-26;27-25(28)17-31-21-12-8-18(9-13-21)15-29-22-5-3-6-23(14-22)30-16-20-11-10-19-4-1-2-7-24(19)26-20;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22;;;;;;;/h3-16H,2,17-19H2,1H3;1-15H,16-17H2,(H,28,29,30,31);2-14,16,18H,15,17H2,1H3,(H,28,29,30,31);1-10,13-16H,11-12,17-18H2,(H,28,29,30,31);2*1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);7*1H4
• InChIKey: UWQFNPCERGNGDY-UHFFFAOYSA-N
• XLogP: 39.57
• TPSA: 516.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 56
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3045.63
LogP ≤ 5	39.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?

The IUPAC name of ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (CID 161214186) is ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline.

What is the SMILES notation for ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?

The canonical SMILES for ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is C.C.C.C.C.C.C.CC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(-c2nn[nH]n2)c1.CCOC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1cc(Cn2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc(-c2nn[nH]n2)c1.

What is the InChIKey of ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?

The InChIKey is UWQFNPCERGNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5.C26H20N6O.2C26H23N5O.2C25H21NO5.C25H21NO3.7CH4/c1-2-30-27(29)19-33-23-11-7-20(8-12-23)17-31-24-13-15-25(16-14-24)32-18-22-10-9-21-5-3-4-6-26(21)28-22;1-2-7-24-19(5-1)8-10-22(27-24)17-33-23-11-9-20-12-13-32(25(20)15-23)16-18-4-3-6-21(14-18)26-28-30-31-29-26;1-18(21-6-4-7-22(16-21)26-28-30-31-29-26)15-19-9-13-24(14-10-19)32-17-23-12-11-20-5-2-3-8-25(20)27-23;1-2-10-25-22(8-1)13-14-23(27-25)18-32-24-9-4-6-20(16-24)12-11-19-5-3-7-21(15-19)17-26-28-30-31-29-26;27-25(28)17-31-21-12-8-18(9-13-21)15-29-22-5-3-6-23(14-22)30-16-20-11-10-19-4-1-2-7-24(19)26-20;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22;;;;;;;/h3-16H,2,17-19H2,1H3;1-15H,16-17H2,(H,28,29,30,31);2-14,16,18H,15,17H2,1H3,(H,28,29,30,31);1-10,13-16H,11-12,17-18H2,(H,28,29,30,31);2*1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28);7*1H4.

What are the key properties of ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?

ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline has a molecular weight of 3045.63 g/mol, XLogP of 39.57, 56 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 161214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).