ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid

C97H83N8O14+ — CID 159115003

About ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid

ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid (PubChem CID 159115003) has the molecular formula C97H83N8O14+ and a molecular weight of 1584.77 g/mol. Its IUPAC name is ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
• PubChem CID: 159115003
• Molecular Formula: C97H83N8O14+
• Molecular Weight: 1584.77 g/mol
• Exact Mass: 1583.60
• IUPAC Name: ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
• SMILES: CCOC(=O)c1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)oc1C.COc1cc(-[n+]2ncn[nH]2)ccc1CCc1cccc(OCc2ccc3ccccc3n2)c1.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.O=C(O)Cc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1
• InChI: InChI=1S/C26H23N5O2.C25H21NO4.C24H21NO4.C22H17NO4/c1-32-26-16-23(31-28-18-27-30-31)14-12-21(26)10-9-19-5-4-7-24(15-19)33-17-22-13-11-20-6-2-3-8-25(20)29-22;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;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17/h2-8,11-16,18H,9-10,17H2,1H3;1-13,15H,14,16-17H2,(H,27,28);4-14H,3,15H2,1-2H3;2-12H,13H2,1H3,(H,24,25)/p+1
• InChIKey: MZRZAEBXOHUCEE-UHFFFAOYSA-O
• XLogP: 19.66
• TPSA: 279.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.77
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?

The IUPAC name of ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid (CID 159115003) is ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid.

What is the SMILES notation for ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?

The canonical SMILES for ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid is CCOC(=O)c1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)oc1C.COc1cc(-[n+]2ncn[nH]2)ccc1CCc1cccc(OCc2ccc3ccccc3n2)c1.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.O=C(O)Cc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.

What is the InChIKey of ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?

The InChIKey is MZRZAEBXOHUCEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N5O2.C25H21NO4.C24H21NO4.C22H17NO4/c1-32-26-16-23(31-28-18-27-30-31)14-12-21(26)10-9-19-5-4-7-24(15-19)33-17-22-13-11-20-6-2-3-8-25(20)29-22;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;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17/h2-8,11-16,18H,9-10,17H2,1H3;1-13,15H,14,16-17H2,(H,27,28);4-14H,3,15H2,1-2H3;2-12H,13H2,1H3,(H,24,25)/p+1.

What are the key properties of ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?

ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid has a molecular weight of 1584.77 g/mol, XLogP of 19.66, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;2-[[3-[2-[2-methoxy-4-(2H-tetrazol-3-ium-3-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 159115003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).