N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide

C28H27FN4O5 — CID 134566520

About N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide

N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide (PubChem CID 134566520) has the molecular formula C28H27FN4O5 and a molecular weight of 518.55 g/mol. Its IUPAC name is N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide.

Molecular Properties

• Compound Name: N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
• PubChem CID: 134566520
• Molecular Formula: C28H27FN4O5
• Molecular Weight: 518.55 g/mol
• Exact Mass: 518.20
• IUPAC Name: N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide
• SMILES: CCc1cc(NC(=O)CC(=O)Nc2ccc(C)c(F)c2)cnc1Oc1ccnc2cc(OC)c(OC)cc12
• InChI: InChI=1S/C28H27FN4O5/c1-5-17-10-19(33-27(35)14-26(34)32-18-7-6-16(2)21(29)11-18)15-31-28(17)38-23-8-9-30-22-13-25(37-4)24(36-3)12-20(22)23/h6-13,15H,5,14H2,1-4H3,(H,32,34)(H,33,35)
• InChIKey: VOQZJTFDUXXLTQ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 111.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.55
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
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 N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide?

The IUPAC name of N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide (CID 134566520) is N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide.

What is the SMILES notation for N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide?

The canonical SMILES for N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide is CCc1cc(NC(=O)CC(=O)Nc2ccc(C)c(F)c2)cnc1Oc1ccnc2cc(OC)c(OC)cc12.

What is the InChIKey of N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide?

The InChIKey is VOQZJTFDUXXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5/c1-5-17-10-19(33-27(35)14-26(34)32-18-7-6-16(2)21(29)11-18)15-31-28(17)38-23-8-9-30-22-13-25(37-4)24(36-3)12-20(22)23/h6-13,15H,5,14H2,1-4H3,(H,32,34)(H,33,35).

What are the key properties of N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide?

N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide has a molecular weight of 518.55 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-ethyl-3-pyridinyl]-N-(3-fluoro-4-methylphenyl)propanediamide is sourced from PubChem (CID 134566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).