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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride

C149H171ClN22O19 — CID 159787177

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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride (PubChem CID 159787177) has the molecular formula C149H171ClN22O19 and a molecular weight of 2609.59 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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride
• PubChem CID: 159787177
• Molecular Formula: C149H171ClN22O19
• Molecular Weight: 2609.59 g/mol
• Exact Mass: 2607.28
• 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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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(OCCCc3nn[nH]n3)c2)nc1
• InChI: InChI=1S/2C22H23NO4.C21H21N5O2.C21H20N4O2.C20H19NO4.C19H15N5O.C16H17N5O2.8CH4.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;1-2-9-17-13(5-1)12-23-15-7-3-6-14(11-15)22-10-4-8-16-18-20-21-19-16;;;;;;;;;/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);1-3,5-7,9,11H,4,8,10,12H2,(H,18,19,20,21);8*1H4;1H/b;;;;;12-7+
• InChIKey: IQKRHOHXZHZRCT-IMKFDZQPSA-N
• XLogP: 31.91
• TPSA: 505.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 55
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.59
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride (CID 159787177) 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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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(OCCCc3nn[nH]n3)c2)nc1.

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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride?

The InChIKey is IQKRHOHXZHZRCT-IMKFDZQPSA-N. The full InChI is InChI=1S/2C22H23NO4.C21H21N5O2.C21H20N4O2.C20H19NO4.C19H15N5O.C16H17N5O2.8CH4.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;1-2-9-17-13(5-1)12-23-15-7-3-6-14(11-15)22-10-4-8-16-18-20-21-19-16;;;;;;;;;/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);1-3,5-7,9,11H,4,8,10,12H2,(H,18,19,20,21);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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride has a molecular weight of 2609.59 g/mol, XLogP of 31.91, 55 rotatable bonds, 5 hydrogen bond donors, and 36 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;4-[3-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]quinoline;2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine;hydrochloride is sourced from PubChem (CID 159787177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).