7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione

C31H27ClN2O7 — CID 162875022

About 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione

7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione (PubChem CID 162875022) has the molecular formula C31H27ClN2O7 and a molecular weight of 575.02 g/mol. Its IUPAC name is 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione.

Molecular Properties

• Compound Name: 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione
• PubChem CID: 162875022
• Molecular Formula: C31H27ClN2O7
• Molecular Weight: 575.02 g/mol
• Exact Mass: 574.15
• IUPAC Name: 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione
• SMILES: COc1cc(OC)c2c(c1Cl)OC1(C(=O)C3=C(CC1C)NC(=O)CC3c1cc3cccc4c3n(c1=O)CCC4)C2=O
• InChI: InChI=1S/C31H27ClN2O7/c1-14-10-19-23(28(36)31(14)29(37)24-20(39-2)13-21(40-3)25(32)27(24)41-31)17(12-22(35)33-19)18-11-16-7-4-6-15-8-5-9-34(26(15)16)30(18)38/h4,6-7,11,13-14,17H,5,8-10,12H2,1-3H3,(H,33,35)
• InChIKey: UEBQTAKGMKBZDV-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 112.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.02
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The IUPAC name of 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione (CID 162875022) is 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione.

What is the SMILES notation for 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The canonical SMILES for 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione is COc1cc(OC)c2c(c1Cl)OC1(C(=O)C3=C(CC1C)NC(=O)CC3c1cc3cccc4c3n(c1=O)CCC4)C2=O.

What is the InChIKey of 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The InChIKey is UEBQTAKGMKBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2O7/c1-14-10-19-23(28(36)31(14)29(37)24-20(39-2)13-21(40-3)25(32)27(24)41-31)17(12-22(35)33-19)18-11-16-7-4-6-15-8-5-9-34(26(15)16)30(18)38/h4,6-7,11,13-14,17H,5,8-10,12H2,1-3H3,(H,33,35).

What are the key properties of 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione has a molecular weight of 575.02 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4,6-dimethoxy-7'-methyl-4'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione is sourced from PubChem (CID 162875022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).