N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide

C28H24FN3O5 — CID 154400093

About N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide

N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide (PubChem CID 154400093) has the molecular formula C28H24FN3O5 and a molecular weight of 501.51 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide.

Molecular Properties

• Compound Name: N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide
• PubChem CID: 154400093
• Molecular Formula: C28H24FN3O5
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.17
• IUPAC Name: N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide
• SMILES: COc1cc2nccc(Oc3ccc(N(C(=O)C(N)=O)C4Cc5ccccc5C4)cc3F)c2cc1OC
• InChI: InChI=1S/C28H24FN3O5/c1-35-25-14-20-22(15-26(25)36-2)31-10-9-23(20)37-24-8-7-18(13-21(24)29)32(28(34)27(30)33)19-11-16-5-3-4-6-17(16)12-19/h3-10,13-15,19H,11-12H2,1-2H3,(H2,30,33)
• InChIKey: ZHPJDGBCPPPQSC-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 103.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide?

The IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide (CID 154400093) is N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide.

What is the SMILES notation for N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide?

The canonical SMILES for N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide is COc1cc2nccc(Oc3ccc(N(C(=O)C(N)=O)C4Cc5ccccc5C4)cc3F)c2cc1OC.

What is the InChIKey of N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide?

The InChIKey is ZHPJDGBCPPPQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O5/c1-35-25-14-20-22(15-26(25)36-2)31-10-9-23(20)37-24-8-7-18(13-21(24)29)32(28(34)27(30)33)19-11-16-5-3-4-6-17(16)12-19/h3-10,13-15,19H,11-12H2,1-2H3,(H2,30,33).

What are the key properties of N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide?

N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide has a molecular weight of 501.51 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,3-dihydro-1H-inden-2-yl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide is sourced from PubChem (CID 154400093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).