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

C108H105N11O12 — CID 160661562

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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (PubChem CID 160661562) has the molecular formula C108H105N11O12 and a molecular weight of 1749.09 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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
• PubChem CID: 160661562
• Molecular Formula: C108H105N11O12
• Molecular Weight: 1749.09 g/mol
• Exact Mass: 1747.79
• 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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
• SMILES: C.C.C.CC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(-c2ncn[nH]2)c1.CCOC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1
• InChI: InChI=1S/C27H24N4O.C27H25NO5.C26H23N5O.C25H21NO5.3CH4/c1-19(22-6-4-7-23(16-22)27-28-18-29-31-27)15-20-9-13-25(14-10-20)32-17-24-12-11-21-5-2-3-8-26(21)30-24;1-2-30-27(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;1-2-10-25-22(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;;;/h2-14,16,18-19H,15,17H2,1H3,(H,28,29,31);3-16H,2,17-19H2,1H3;1-10,13-16H,11-12,17-18H2,(H,28,29,30,31);1-14H,15-17H2,(H,27,28);3*1H4
• InChIKey: RLSUXHRLTYCBBJ-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 285.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.09
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (CID 160661562) 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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is C.C.C.CC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(-c2ncn[nH]2)c1.CCOC(=O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?

The InChIKey is RLSUXHRLTYCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O.C27H25NO5.C26H23N5O.C25H21NO5.3CH4/c1-19(22-6-4-7-23(16-22)27-28-18-29-31-27)15-20-9-13-25(14-10-20)32-17-24-12-11-21-5-2-3-8-26(21)30-24;1-2-30-27(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;1-2-10-25-22(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;;;/h2-14,16,18-19H,15,17H2,1H3,(H,28,29,31);3-16H,2,17-19H2,1H3;1-10,13-16H,11-12,17-18H2,(H,28,29,30,31);1-14H,15-17H2,(H,27,28);3*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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline has a molecular weight of 1749.09 g/mol, XLogP of 22.75, 34 rotatable bonds, 3 hydrogen bond donors, and 20 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-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 160661562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).