ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

C114H109N9O12 — CID 159913637

About ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 159913637) has the molecular formula C114H109N9O12 and a molecular weight of 1797.18 g/mol. Its IUPAC name is ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• PubChem CID: 159913637
• Molecular Formula: C114H109N9O12
• Molecular Weight: 1797.18 g/mol
• Exact Mass: 1795.82
• IUPAC Name: ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C.C(=C/c1cccc(-c2nn[nH]n2)c1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)c1cc(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1.NC(=O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.O=C(O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1
• InChI: InChI=1S/C29H23NO6.C28H26N2O2.C28H25NO3.C25H19N5O.4CH4/c1-2-33-29(32)28-16-26(31)24-13-12-23(15-27(24)36-28)34-17-19-6-5-8-22(14-19)35-18-21-11-10-20-7-3-4-9-25(20)30-21;29-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)30-25;30-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)29-25;1-2-7-24-20(5-1)12-13-22(26-24)17-31-23-14-10-18(11-15-23)8-9-19-4-3-6-21(16-19)25-27-29-30-28-25;;;;/h3-16H,2,17-18H2,1H3;1-7,10-13,15,17,20H,8-9,14,16,18H2,(H2,29,31);1-7,10-13,15,17,20H,8-9,14,16,18H2,(H,30,31);1-16H,17H2,(H,27,28,29,30);4*1H4/b;;;9-8+
• InChIKey: NXMNGIRNNHHYIS-KPWQBNPUSA-N
• XLogP: 24.50
• TPSA: 289.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.18
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	3
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 ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The IUPAC name of ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 159913637) is ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

What is the SMILES notation for ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The canonical SMILES for ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is C.C.C.C.C(=C/c1cccc(-c2nn[nH]n2)c1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCOC(=O)c1cc(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1.NC(=O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.O=C(O)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.

What is the InChIKey of ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The InChIKey is NXMNGIRNNHHYIS-KPWQBNPUSA-N. The full InChI is InChI=1S/C29H23NO6.C28H26N2O2.C28H25NO3.C25H19N5O.4CH4/c1-2-33-29(32)28-16-26(31)24-13-12-23(15-27(24)36-28)34-17-19-6-5-8-22(14-19)35-18-21-11-10-20-7-3-4-9-25(20)30-21;29-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)30-25;30-28(31)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)32-18-25-12-10-22-5-1-2-7-27(22)29-25;1-2-7-24-20(5-1)12-13-22(26-24)17-31-23-14-10-18(11-15-23)8-9-19-4-3-6-21(16-19)25-27-29-30-28-25;;;;/h3-16H,2,17-18H2,1H3;1-7,10-13,15,17,20H,8-9,14,16,18H2,(H2,29,31);1-7,10-13,15,17,20H,8-9,14,16,18H2,(H,30,31);1-16H,17H2,(H,27,28,29,30);4*1H4/b;;;9-8+;;;;.

What are the key properties of ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 1797.18 g/mol, XLogP of 24.50, 26 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylate;methane;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzamide;3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzoic acid;2-[[4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 159913637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).