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

C105H99N7O13 — CID 161189548

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

ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid (PubChem CID 161189548) has the molecular formula C105H99N7O13 and a molecular weight of 1666.98 g/mol. Its IUPAC name is ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid
• PubChem CID: 161189548
• Molecular Formula: C105H99N7O13
• Molecular Weight: 1666.98 g/mol
• Exact Mass: 1665.73
• IUPAC Name: ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid
• SMILES: C.C.C.CCOC(=O)c1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)oc1C.COc1cc(-c2ncn[nH]2)ccc1CCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)Cc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)Cc1ccccc1/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1
• InChI: InChI=1S/C27H24N4O2.C26H21NO3.C25H21NO4.C24H21NO4.3CH4/c1-32-26-16-22(27-28-18-29-31-27)12-11-21(26)10-9-19-5-4-7-24(15-19)33-17-23-14-13-20-6-2-3-8-25(20)30-23;28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)14-18-8-10-19(11-9-18)16-29-22-5-3-6-23(15-22)30-17-21-13-12-20-4-1-2-7-24(20)26-21;1-3-27-24(26)21-14-23(29-16(21)2)18-9-12-20(13-10-18)28-15-19-11-8-17-6-4-5-7-22(17)25-19;;;/h2-8,11-16,18H,9-10,17H2,1H3,(H,28,29,31);1-16H,17-18H2,(H,28,29);1-13,15H,14,16-17H2,(H,27,28);4-14H,3,15H2,1-2H3;3*1H4/b;12-9+
• InChIKey: UTNMQDIOZNQYHE-LJTYZUMUSA-N
• XLogP: 23.49
• TPSA: 262.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.98
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid (CID 161189548) is ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid.

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

The canonical SMILES for ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid is C.C.C.CCOC(=O)c1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)oc1C.COc1cc(-c2ncn[nH]2)ccc1CCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)Cc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.O=C(O)Cc1ccccc1/C=C/c1ccc(OCc2ccc3ccccc3n2)cc1.

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

The InChIKey is UTNMQDIOZNQYHE-LJTYZUMUSA-N. The full InChI is InChI=1S/C27H24N4O2.C26H21NO3.C25H21NO4.C24H21NO4.3CH4/c1-32-26-16-22(27-28-18-29-31-27)12-11-21(26)10-9-19-5-4-7-24(15-19)33-17-23-14-13-20-6-2-3-8-25(20)30-23;28-26(29)17-22-7-2-1-5-20(22)12-9-19-10-15-24(16-11-19)30-18-23-14-13-21-6-3-4-8-25(21)27-23;27-25(28)14-18-8-10-19(11-9-18)16-29-22-5-3-6-23(15-22)30-17-21-13-12-20-4-1-2-7-24(20)26-21;1-3-27-24(26)21-14-23(29-16(21)2)18-9-12-20(13-10-18)28-15-19-11-8-17-6-4-5-7-22(17)25-19;;;/h2-8,11-16,18H,9-10,17H2,1H3,(H,28,29,31);1-16H,17-18H2,(H,28,29);1-13,15H,14,16-17H2,(H,27,28);4-14H,3,15H2,1-2H3;3*1H4/b;12-9+;;;;;.

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

ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid has a molecular weight of 1666.98 g/mol, XLogP of 23.49, 29 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid is sourced from PubChem (CID 161189548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).