[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C28H23N3O6 — CID 164909793

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 164909793) has the molecular formula C28H23N3O6 and a molecular weight of 497.51 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 164909793
• Molecular Formula: C28H23N3O6
• Molecular Weight: 497.51 g/mol
• Exact Mass: 497.16
• IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: CC(=O)c1cc(O)ccc1/C=C1\CCc2c1nc1ccccc1c2C(=O)OCC(=O)Nc1cc(C)on1
• InChI: InChI=1S/C28H23N3O6/c1-15-11-24(31-37-15)30-25(34)14-36-28(35)26-20-5-3-4-6-23(20)29-27-18(8-10-21(26)27)12-17-7-9-19(33)13-22(17)16(2)32/h3-7,9,11-13,33H,8,10,14H2,1-2H3,(H,30,31,34)/b18-12+
• InChIKey: RPVVHUPEONFDCD-LDADJPATSA-N
• XLogP: 4.72
• TPSA: 131.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.51
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 164909793) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is CC(=O)c1cc(O)ccc1/C=C1\CCc2c1nc1ccccc1c2C(=O)OCC(=O)Nc1cc(C)on1.

What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The InChIKey is RPVVHUPEONFDCD-LDADJPATSA-N. The full InChI is InChI=1S/C28H23N3O6/c1-15-11-24(31-37-15)30-25(34)14-36-28(35)26-20-5-3-4-6-23(20)29-27-18(8-10-21(26)27)12-17-7-9-19(33)13-22(17)16(2)32/h3-7,9,11-13,33H,8,10,14H2,1-2H3,(H,30,31,34)/b18-12+.

What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 497.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3E)-3-[(2-acetyl-4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 164909793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).