benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

C118H105FN12O24 — CID 159791548

About benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (PubChem CID 159791548) has the molecular formula C118H105FN12O24 and a molecular weight of 2094.20 g/mol. Its IUPAC name is benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.

Molecular Properties

• Compound Name: benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
• PubChem CID: 159791548
• Molecular Formula: C118H105FN12O24
• Molecular Weight: 2094.20 g/mol
• Exact Mass: 2092.73
• IUPAC Name: benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
• SMILES: CCOC(=O)C1C2Oc3ccc(C)cc3C21.CCOC(=O)C1C2Oc3ccc(O)cc3C21.CCOC(=O)C1C2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C21.Cc1ccc2occc2c1.Nc1ccccc1N.O=C1CCc2c(F)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccccc4[nH]3)ccnc2N1.Oc1ccc2occc2c1
• InChI: InChI=1S/C24H18N4O3.C20H18N2O5.C18H14N2O5.C13H14O3.C12H12O4.C9H8O.C8H7FN2O.C8H6O2.C6H8N2/c29-19-8-6-13-18(9-10-25-23(13)28-19)30-12-5-7-17-14(11-12)20-21(22(20)31-17)24-26-15-3-1-2-4-16(15)27-24;1-2-25-20(24)17-16-12-9-10(3-5-13(12)27-18(16)17)26-14-7-8-21-19-11(14)4-6-15(23)22-19;21-13-4-2-9-12(5-6-19-17(9)20-13)24-8-1-3-11-10(7-8)14-15(18(22)23)16(14)25-11;1-3-15-13(14)11-10-8-6-7(2)4-5-9(8)16-12(10)11;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;1-7-2-3-9-8(6-7)4-5-10-9;9-6-3-4-10-8-5(6)1-2-7(12)11-8;9-7-1-2-8-6(5-7)3-4-10-8;7-5-3-1-2-4-6(5)8/h1-5,7,9-11,20-22H,6,8H2,(H,26,27)(H,25,28,29);3,5,7-9,16-18H,2,4,6H2,1H3,(H,21,22,23);1,3,5-7,14-16H,2,4H2,(H,22,23)(H,19,20,21);4-6,10-12H,3H2,1-2H3;3-5,9-11,13H,2H2,1H3;2-6H,1H3;3-4H,1-2H2,(H,10,11,12);1-5,9H;1-4H,7-8H2
• InChIKey: NIPUQAJPEOATNZ-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 505.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.20
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?

The IUPAC name of benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (CID 159791548) is benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.

What is the SMILES notation for benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?

The canonical SMILES for benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is CCOC(=O)C1C2Oc3ccc(C)cc3C21.CCOC(=O)C1C2Oc3ccc(O)cc3C21.CCOC(=O)C1C2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C21.Cc1ccc2occc2c1.Nc1ccccc1N.O=C1CCc2c(F)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccccc4[nH]3)ccnc2N1.Oc1ccc2occc2c1.

What is the InChIKey of benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?

The InChIKey is NIPUQAJPEOATNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3.C20H18N2O5.C18H14N2O5.C13H14O3.C12H12O4.C9H8O.C8H7FN2O.C8H6O2.C6H8N2/c29-19-8-6-13-18(9-10-25-23(13)28-19)30-12-5-7-17-14(11-12)20-21(22(20)31-17)24-26-15-3-1-2-4-16(15)27-24;1-2-25-20(24)17-16-12-9-10(3-5-13(12)27-18(16)17)26-14-7-8-21-19-11(14)4-6-15(23)22-19;21-13-4-2-9-12(5-6-19-17(9)20-13)24-8-1-3-11-10(7-8)14-15(18(22)23)16(14)25-11;1-3-15-13(14)11-10-8-6-7(2)4-5-9(8)16-12(10)11;1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10;1-7-2-3-9-8(6-7)4-5-10-9;9-6-3-4-10-8-5(6)1-2-7(12)11-8;9-7-1-2-8-6(5-7)3-4-10-8;7-5-3-1-2-4-6(5)8/h1-5,7,9-11,20-22H,6,8H2,(H,26,27)(H,25,28,29);3,5,7-9,16-18H,2,4,6H2,1H3,(H,21,22,23);1,3,5-7,14-16H,2,4H2,(H,22,23)(H,19,20,21);4-6,10-12H,3H2,1-2H3;3-5,9-11,13H,2H2,1H3;2-6H,1H3;3-4H,1-2H2,(H,10,11,12);1-5,9H;1-4H,7-8H2.

What are the key properties of benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?

benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid has a molecular weight of 2094.20 g/mol, XLogP of 19.69, 14 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-benzofuran-5-ol;ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;ethyl 5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-1-benzofuran;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is sourced from PubChem (CID 159791548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).