methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline

C108H92N10O12 — CID 159187891

About methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline

methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline (PubChem CID 159187891) has the molecular formula C108H92N10O12 and a molecular weight of 1721.98 g/mol. Its IUPAC name is methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

• Compound Name: methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline
• PubChem CID: 159187891
• Molecular Formula: C108H92N10O12
• Molecular Weight: 1721.98 g/mol
• Exact Mass: 1720.69
• IUPAC Name: methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline
• SMILES: C.C.C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.C(=C\c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.COC(=O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1OCC(=O)O.O=C(O)COc1ccccc1OCc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/2C27H20N4.C27H23NO7.C25H21NO5.2CH4/c2*1-2-7-26-23(5-1)15-17-25(30-26)16-14-21-10-8-20(9-11-21)12-13-22-4-3-6-24(18-22)27-28-19-29-31-27;1-32-27(31)23-13-6-18(14-25(23)35-17-26(29)30)15-33-21-9-11-22(12-10-21)34-16-20-8-7-19-4-2-3-5-24(19)28-20;27-25(28)17-31-24-11-4-3-10-23(24)30-15-18-6-5-8-21(14-18)29-16-20-13-12-19-7-1-2-9-22(19)26-20;;/h2*1-19H,(H,28,29,31);2-14H,15-17H2,1H3,(H,29,30);1-14H,15-17H2,(H,27,28);2*1H4/b13-12+,16-14+;13-12-,16-14+
• InChIKey: KNSJTNISIZHLOE-KGJBPWAASA-N
• XLogP: 23.49
• TPSA: 290.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.98
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline?

The IUPAC name of methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline (CID 159187891) is methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline.

What is the SMILES notation for methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline?

The canonical SMILES for methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline is C.C.C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.C(=C\c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.COC(=O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1OCC(=O)O.O=C(O)COc1ccccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline?

The InChIKey is KNSJTNISIZHLOE-KGJBPWAASA-N. The full InChI is InChI=1S/2C27H20N4.C27H23NO7.C25H21NO5.2CH4/c2*1-2-7-26-23(5-1)15-17-25(30-26)16-14-21-10-8-20(9-11-21)12-13-22-4-3-6-24(18-22)27-28-19-29-31-27;1-32-27(31)23-13-6-18(14-25(23)35-17-26(29)30)15-33-21-9-11-22(12-10-21)34-16-20-8-7-19-4-2-3-5-24(19)28-20;27-25(28)17-31-24-11-4-3-10-23(24)30-15-18-6-5-8-21(14-18)29-16-20-13-12-19-7-1-2-9-22(19)26-20;;/h2*1-19H,(H,28,29,31);2-14H,15-17H2,1H3,(H,29,30);1-14H,15-17H2,(H,27,28);2*1H4/b13-12+,16-14+;13-12-,16-14+;;;;.

What are the key properties of methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline?

methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline has a molecular weight of 1721.98 g/mol, XLogP of 23.49, 29 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-methoxycarbonyl-5-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 159187891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).