2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione

C29H25N5O5 — CID 171554272

About 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione

2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione (PubChem CID 171554272) has the molecular formula C29H25N5O5 and a molecular weight of 523.55 g/mol. Its IUPAC name is 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione
• PubChem CID: 171554272
• Molecular Formula: C29H25N5O5
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.19
• IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione
• SMILES: Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N([C@H]2CCC(=O)NC2=O)C4=O)N(C)C(=O)CC3)ccn1
• InChI: InChI=1S/C29H25N5O5/c1-15-12-16(10-11-30-15)19-13-17-6-9-25(36)33(2)23(17)14-21(19)31-20-5-3-4-18-26(20)29(39)34(28(18)38)22-7-8-24(35)32-27(22)37/h3-5,10-14,22,31H,6-9H2,1-2H3,(H,32,35,37)/t22-/m0/s1
• InChIKey: WTHBTFQJBVJOAO-QFIPXVFZSA-N
• XLogP: 3.11
• TPSA: 128.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione?

The IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione (CID 171554272) is 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione.

What is the SMILES notation for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione?

The canonical SMILES for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione is Cc1cc(-c2cc3c(cc2Nc2cccc4c2C(=O)N([C@H]2CCC(=O)NC2=O)C4=O)N(C)C(=O)CC3)ccn1.

What is the InChIKey of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione?

The InChIKey is WTHBTFQJBVJOAO-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H25N5O5/c1-15-12-16(10-11-30-15)19-13-17-6-9-25(36)33(2)23(17)14-21(19)31-20-5-3-4-18-26(20)29(39)34(28(18)38)22-7-8-24(35)32-27(22)37/h3-5,10-14,22,31H,6-9H2,1-2H3,(H,32,35,37)/t22-/m0/s1.

What are the key properties of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione?

2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione has a molecular weight of 523.55 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 171554272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).