[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C31H26N2O4 — CID 3298184

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 3298184) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 3298184
• Molecular Formula: C31H26N2O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.19
• IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: CC1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(O)cc1)CC2
• InChI: InChI=1S/C31H26N2O4/c1-19-16-21-6-2-5-9-27(21)33(19)28(35)18-37-31(36)29-24-7-3-4-8-26(24)32-30-22(12-15-25(29)30)17-20-10-13-23(34)14-11-20/h2-11,13-14,17,19,34H,12,15-16,18H2,1H3
• InChIKey: LMKAHRQSVBEJEL-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 3298184) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

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

The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is CC1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(O)cc1)CC2.

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

The InChIKey is LMKAHRQSVBEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-19-16-21-6-2-5-9-27(21)33(19)28(35)18-37-31(36)29-24-7-3-4-8-26(24)32-30-22(12-15-25(29)30)17-20-10-13-23(34)14-11-20/h2-11,13-14,17,19,34H,12,15-16,18H2,1H3.

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

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 3298184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).