7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione

C30H26ClNO7 — CID 163092637

About 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione

7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione (PubChem CID 163092637) has the molecular formula C30H26ClNO7 and a molecular weight of 547.99 g/mol. Its IUPAC name is 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione.

Molecular Properties

• Compound Name: 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione
• PubChem CID: 163092637
• Molecular Formula: C30H26ClNO7
• Molecular Weight: 547.99 g/mol
• Exact Mass: 547.14
• IUPAC Name: 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[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)CC3c1ccc(OC)c3ccccc13)C2=O
• InChI: InChI=1S/C30H26ClNO7/c1-14-11-19-24(18(12-23(33)32-19)16-9-10-20(36-2)17-8-6-5-7-15(16)17)28(34)30(14)29(35)25-21(37-3)13-22(38-4)26(31)27(25)39-30/h5-10,13-14,18H,11-12H2,1-4H3,(H,32,33)
• InChIKey: CWQCZGNUARLXDV-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 100.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.99
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The IUPAC name of 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione (CID 163092637) is 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[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-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The canonical SMILES for 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[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)CC3c1ccc(OC)c3ccccc13)C2=O.

What is the InChIKey of 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

The InChIKey is CWQCZGNUARLXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO7/c1-14-11-19-24(18(12-23(33)32-19)16-9-10-20(36-2)17-8-6-5-7-15(16)17)28(34)30(14)29(35)25-21(37-3)13-22(38-4)26(31)27(25)39-30/h5-10,13-14,18H,11-12H2,1-4H3,(H,32,33).

What are the key properties of 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione?

7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione has a molecular weight of 547.99 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4,6-dimethoxy-4'-(4-methoxynaphthalen-1-yl)-7'-methylspiro[1-benzofuran-2,6'-3,4,7,8-tetrahydro-1H-quinoline]-2',3,5'-trione is sourced from PubChem (CID 163092637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).