disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione

C141H155N8Na2O36P3 — CID 161492640

About disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione

disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione (PubChem CID 161492640) has the molecular formula C141H155N8Na2O36P3 and a molecular weight of 2676.71 g/mol. Its IUPAC name is disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione.

Molecular Properties

• Compound Name: disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione
• PubChem CID: 161492640
• Molecular Formula: C141H155N8Na2O36P3
• Molecular Weight: 2676.71 g/mol
• Exact Mass: 2674.96
• IUPAC Name: disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione
• SMILES: CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c(C)[nH]c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c[nH]c13)CCC(=O)N2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c[nH]c13)CCC(=O)N2C.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)(O)O)c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)([O-])[O-])c13)OCC2.[Na+].[Na+]
• InChI: InChI=1S/C30H40NO8P.C23H24N2O4.C22H22N2O4.2C22H24NO8P.C22H23NO4.2Na/c1-9-15-35-24-17-21-14-16-36-28(21)25-26(24)31(18-23(27(25)32)20-10-12-22(34-8)13-11-20)19-37-40(33,38-29(2,3)4)39-30(5,6)7;1-4-11-29-19-12-18-16(9-10-20(26)25(18)2)21-22(19)24-13-17(23(21)27)14-5-7-15(28-3)8-6-14;1-3-10-28-18-11-17-15(8-9-19(25)24-17)20-21(18)23-12-16(22(20)26)13-4-6-14(27-2)7-5-13;2*1-3-9-29-18-11-15-8-10-30-22(15)19-20(18)23(13-31-32(25,26)27)12-17(21(19)24)14-4-6-16(28-2)7-5-14;1-4-10-26-17-12-15-9-11-27-22(15)19-20(17)23-13(2)18(21(19)24)14-5-7-16(25-3)8-6-14;;/h10-13,17-18H,9,14-16,19H2,1-8H3;5-8,12-13H,4,9-11H2,1-3H3,(H,24,27);4-7,11-12H,3,8-10H2,1-2H3,(H,23,26)(H,24,25);2*4-7,11-12H,3,8-10,13H2,1-2H3,(H2,25,26,27);5-8,12H,4,9-11H2,1-3H3,(H,23,24);;/q;;;;;;2*+1/p-2
• InChIKey: BNWWTEHBEJNRHA-UHFFFAOYSA-L
• XLogP: 18.81
• TPSA: 545.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.71
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione?

The IUPAC name of disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione (CID 161492640) is disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione.

What is the SMILES notation for disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione?

The canonical SMILES for disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione is CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c(C)[nH]c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c[nH]c13)CCC(=O)N2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c[nH]c13)CCC(=O)N2C.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)(O)O)c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c13)OCC2.CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)([O-])[O-])c13)OCC2.[Na+].[Na+].

What is the InChIKey of disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione?

The InChIKey is BNWWTEHBEJNRHA-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H40NO8P.C23H24N2O4.C22H22N2O4.2C22H24NO8P.C22H23NO4.2Na/c1-9-15-35-24-17-21-14-16-36-28(21)25-26(24)31(18-23(27(25)32)20-10-12-22(34-8)13-11-20)19-37-40(33,38-29(2,3)4)39-30(5,6)7;1-4-11-29-19-12-18-16(9-10-20(26)25(18)2)21-22(19)24-13-17(23(21)27)14-5-7-15(28-3)8-6-14;1-3-10-28-18-11-17-15(8-9-19(25)24-17)20-21(18)23-12-16(22(20)26)13-4-6-14(27-2)7-5-13;2*1-3-9-29-18-11-15-8-10-30-22(15)19-20(18)23(13-31-32(25,26)27)12-17(21(19)24)14-4-6-16(28-2)7-5-14;1-4-10-26-17-12-15-9-11-27-22(15)19-20(17)23-13(2)18(21(19)24)14-5-7-16(25-3)8-6-14;;/h10-13,17-18H,9,14-16,19H2,1-8H3;5-8,12-13H,4,9-11H2,1-3H3,(H,24,27);4-7,11-12H,3,8-10H2,1-2H3,(H,23,26)(H,24,25);2*4-7,11-12H,3,8-10,13H2,1-2H3,(H2,25,26,27);5-8,12H,4,9-11H2,1-3H3,(H,23,24);;/q;;;;;;2*+1/p-2.

What are the key properties of disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione?

disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione has a molecular weight of 2676.71 g/mol, XLogP of 18.81, 41 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;ditert-butyl [8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;8-(4-methoxyphenyl)-7-methyl-5-propoxy-3,6-dihydro-2H-furo[2,3-f]quinolin-9-one;2-(4-methoxyphenyl)-7-methyl-5-propoxy-9,10-dihydro-4H-4,7-phenanthroline-1,8-dione;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl dihydrogen phosphate;[8-(4-methoxyphenyl)-9-oxo-5-propoxy-2,3-dihydrofuro[2,3-f]quinolin-6-yl]methyl phosphate;2-(4-methoxyphenyl)-5-propoxy-4,7,9,10-tetrahydro-4,7-phenanthroline-1,8-dione is sourced from PubChem (CID 161492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).