2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

C112H102N8O14 — CID 157473275

About 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline

2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (PubChem CID 157473275) has the molecular formula C112H102N8O14 and a molecular weight of 1784.09 g/mol. Its IUPAC name is 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.

Molecular Properties

• Compound Name: 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
• PubChem CID: 157473275
• Molecular Formula: C112H102N8O14
• Molecular Weight: 1784.09 g/mol
• Exact Mass: 1782.75
• IUPAC Name: 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
• SMILES: C.C.C(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nn[nH]n2)cc1.CC(Oc1ccccc1/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc(C(C)=O)c1OCC(=O)O.O=C(O)/C=C/c1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1
• InChI: InChI=1S/C30H29NO6.C27H23NO4.C27H21NO3.C26H21N5O.2CH4/c1-3-7-26-28(15-14-25(20(2)32)30(26)37-19-29(33)34)36-17-21-8-6-10-24(16-21)35-18-23-13-12-22-9-4-5-11-27(22)31-23;1-19(27(29)30)32-26-9-5-3-7-22(26)13-10-20-11-16-24(17-12-20)31-18-23-15-14-21-6-2-4-8-25(21)28-23;29-27(30)18-13-21-5-1-2-7-23(21)19-31-25-16-10-20(11-17-25)9-14-24-15-12-22-6-3-4-8-26(22)28-24;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;;/h4-6,8-16H,3,7,17-19H2,1-2H3,(H,33,34);2-17,19H,18H2,1H3,(H,29,30);1-18H,19H2,(H,29,30);1-16H,17-18H2,(H,28,29,30,31);2*1H4/b;13-10+;14-9+,18-13+;13-9+
• InChIKey: BVHFYQRXKKWAAI-NPRUBBPMSA-N
• XLogP: 24.29
• TPSA: 299.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.09
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?

The IUPAC name of 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline (CID 157473275) is 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline.

What is the SMILES notation for 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?

The canonical SMILES for 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is C.C.C(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nn[nH]n2)cc1.CC(Oc1ccccc1/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc(C(C)=O)c1OCC(=O)O.O=C(O)/C=C/c1ccccc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1.

What is the InChIKey of 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?

The InChIKey is BVHFYQRXKKWAAI-NPRUBBPMSA-N. The full InChI is InChI=1S/C30H29NO6.C27H23NO4.C27H21NO3.C26H21N5O.2CH4/c1-3-7-26-28(15-14-25(20(2)32)30(26)37-19-29(33)34)36-17-21-8-6-10-24(16-21)35-18-23-13-12-22-9-4-5-11-27(22)31-23;1-19(27(29)30)32-26-9-5-3-7-22(26)13-10-20-11-16-24(17-12-20)31-18-23-15-14-21-6-2-4-8-25(21)28-23;29-27(30)18-13-21-5-1-2-7-23(21)19-31-25-16-10-20(11-17-25)9-14-24-15-12-22-6-3-4-8-26(22)28-24;1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23;;/h4-6,8-16H,3,7,17-19H2,1-2H3,(H,33,34);2-17,19H,18H2,1H3,(H,29,30);1-18H,19H2,(H,29,30);1-16H,17-18H2,(H,28,29,30,31);2*1H4/b;13-10+;14-9+,18-13+;13-9+;;.

What are the key properties of 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline?

2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline has a molecular weight of 1784.09 g/mol, XLogP of 24.29, 34 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-acetyl-2-propyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;methane;(E)-3-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]prop-2-enoic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]propanoic acid;2-[(E)-2-[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline is sourced from PubChem (CID 157473275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).