4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

C48H36Cl4N8O8 — CID 159260513

About 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 159260513) has the molecular formula C48H36Cl4N8O8 and a molecular weight of 994.68 g/mol. Its IUPAC name is 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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: 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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: 159260513
• Molecular Formula: C48H36Cl4N8O8
• Molecular Weight: 994.68 g/mol
• Exact Mass: 992.14
• IUPAC Name: 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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: Nc1cc(Cl)c(Cl)cc1N.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(Cl)c(Cl)cc4[nH]3)ccnc2N1
• InChI: InChI=1S/C24H16Cl2N4O3.C18H14N2O5.C6H6Cl2N2/c25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23;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;7-3-1-5(9)6(10)2-4(3)8/h1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31);1,3,5-7,14-16H,2,4H2,(H,22,23)(H,19,20,21);1-2H,9-10H2
• InChIKey: KWLHOQWFQVQWCY-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 238.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	994.68
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 159260513) is 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 Nc1cc(Cl)c(Cl)cc1N.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3C(=O)O)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4cc(Cl)c(Cl)cc4[nH]3)ccnc2N1.

What is the InChIKey of 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 KWLHOQWFQVQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3.C18H14N2O5.C6H6Cl2N2/c25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23;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;7-3-1-5(9)6(10)2-4(3)8/h1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31);1,3,5-7,14-16H,2,4H2,(H,22,23)(H,19,20,21);1-2H,9-10H2.

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

4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 994.68 g/mol, XLogP of 10.06, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichlorobenzene-1,2-diamine;5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;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 159260513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).