ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride

C151H174ClN21O18 — CID 159270735

About ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride

ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride (PubChem CID 159270735) has the molecular formula C151H174ClN21O18 and a molecular weight of 2606.63 g/mol. Its IUPAC name is ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride.

Molecular Properties

• Compound Name: ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride
• PubChem CID: 159270735
• Molecular Formula: C151H174ClN21O18
• Molecular Weight: 2606.63 g/mol
• Exact Mass: 2604.30
• IUPAC Name: ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride
• SMILES: C.C.C.C.C.C.C.C.C(=C/c1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cc(OCCCc2nn[nH]n2)cc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(OCCCc2nn[nH]n2)cc(OCc2ccc3ccccc3c2)c1.c1ccc(COc2cccc(CCCCc3nn[nH]n3)c2)cc1
• InChI: InChI=1S/2C22H23NO4.C21H21N5O2.C21H20N4O2.C20H19NO4.C19H15N5O.C18H20N4O.8CH4.ClH/c1-2-25-22(24)11-6-14-26-19-8-5-9-20(15-19)27-16-18-13-12-17-7-3-4-10-21(17)23-18;1-2-25-22(24)8-5-15-26-19-11-13-20(14-12-19)27-16-18-10-9-17-6-3-4-7-21(17)23-18;1-15-11-18(27-10-4-7-21-23-25-26-24-21)13-19(12-15)28-14-17-9-8-16-5-2-3-6-20(16)22-17;1-2-6-18-13-16(10-11-17(18)5-1)15-27-20-8-3-7-19(14-20)26-12-4-9-21-22-24-25-23-21;22-20(23)9-4-12-24-17-6-3-7-18(13-17)25-14-16-11-10-15-5-1-2-8-19(15)21-16;1-2-4-18-15(3-1)8-9-16(20-18)13-25-17-10-5-14(6-11-17)7-12-19-21-23-24-22-19;1-2-8-16(9-3-1)14-23-17-11-6-10-15(13-17)7-4-5-12-18-19-21-22-20-18;;;;;;;;;/h3-5,7-10,12-13,15H,2,6,11,14,16H2,1H3;3-4,6-7,9-14H,2,5,8,15-16H2,1H3;2-3,5-6,8-9,11-13H,4,7,10,14H2,1H3,(H,23,24,25,26);1-3,5-8,10-11,13-14H,4,9,12,15H2,(H,22,23,24,25);1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23);1-12H,13H2,(H,21,22,23,24);1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20,21,22);8*1H4;1H/b;;;;;12-7+
• InChIKey: MQSHQCLMJVWKGG-IMKFDZQPSA-N
• XLogP: 33.07
• TPSA: 482.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 55
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2606.63
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride?

The IUPAC name of ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride (CID 159270735) is ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride.

What is the SMILES notation for ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride?

The canonical SMILES for ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride is C.C.C.C.C.C.C.C.C(=C/c1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1.Cc1cc(OCCCc2nn[nH]n2)cc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(OCCCc2nn[nH]n2)cc(OCc2ccc3ccccc3c2)c1.c1ccc(COc2cccc(CCCCc3nn[nH]n3)c2)cc1.

What is the InChIKey of ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride?

The InChIKey is MQSHQCLMJVWKGG-IMKFDZQPSA-N. The full InChI is InChI=1S/2C22H23NO4.C21H21N5O2.C21H20N4O2.C20H19NO4.C19H15N5O.C18H20N4O.8CH4.ClH/c1-2-25-22(24)11-6-14-26-19-8-5-9-20(15-19)27-16-18-13-12-17-7-3-4-10-21(17)23-18;1-2-25-22(24)8-5-15-26-19-11-13-20(14-12-19)27-16-18-10-9-17-6-3-4-7-21(17)23-18;1-15-11-18(27-10-4-7-21-23-25-26-24-21)13-19(12-15)28-14-17-9-8-16-5-2-3-6-20(16)22-17;1-2-6-18-13-16(10-11-17(18)5-1)15-27-20-8-3-7-19(14-20)26-12-4-9-21-22-24-25-23-21;22-20(23)9-4-12-24-17-6-3-7-18(13-17)25-14-16-11-10-15-5-1-2-8-19(15)21-16;1-2-4-18-15(3-1)8-9-16(20-18)13-25-17-10-5-14(6-11-17)7-12-19-21-23-24-22-19;1-2-8-16(9-3-1)14-23-17-11-6-10-15(13-17)7-4-5-12-18-19-21-22-20-18;;;;;;;;;/h3-5,7-10,12-13,15H,2,6,11,14,16H2,1H3;3-4,6-7,9-14H,2,5,8,15-16H2,1H3;2-3,5-6,8-9,11-13H,4,7,10,14H2,1H3,(H,23,24,25,26);1-3,5-8,10-11,13-14H,4,9,12,15H2,(H,22,23,24,25);1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23);1-12H,13H2,(H,21,22,23,24);1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20,21,22);8*1H4;1H/b;;;;;12-7+;;;;;;;;;;.

What are the key properties of ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride?

ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride has a molecular weight of 2606.63 g/mol, XLogP of 33.07, 55 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoate;ethyl 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoate;methane;2-[[3-methyl-5-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline;5-[3-[3-(naphthalen-2-ylmethoxy)phenoxy]propyl]-2H-tetrazole;5-[4-(3-phenylmethoxyphenyl)butyl]-2H-tetrazole;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;hydrochloride is sourced from PubChem (CID 159270735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).