N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide

C23H18N4O5 — CID 166425804

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)c4cc5ccccc5c(=O)[nH]4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O5/c28-19-8-7-18(22(31)26-19)27-11-13-5-6-14(10-16(13)23(27)32)24-21(30)17-9-12-3-1-2-4-15(12)20(29)25-17/h1-6,9-10,18H,7-8,11H2,(H,24,30)(H,25,29)(H,26,28,31)
InChIKeyVGRBIOPMUXTYLH-UHFFFAOYSA-N
MW430.42 g/mol
LogP1.54
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 166425804) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID166425804
Molecular FormulaC23H18N4O5
Molecular Weight430.42 g/mol
Exact Mass430.13
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)c4cc5ccccc5c(=O)[nH]4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O5/c28-19-8-7-18(22(31)26-19)27-11-13-5-6-14(10-16(13)23(27)32)24-21(30)17-9-12-3-1-2-4-15(12)20(29)25-17/h1-6,9-10,18H,7-8,11H2,(H,24,30)(H,25,29)(H,26,28,31)
InChIKeyVGRBIOPMUXTYLH-UHFFFAOYSA-N
XLogP1.54
TPSA128.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 156501754
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-indole-2-carboxamide
CID 177187872
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methyl-1H-indole-2-carboxamide
CID 177188028
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
3-[3-oxo-5-(quinazolin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155822533
4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide
CID 156528355
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 166425804) is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide is O=C1CCC(N2Cc3ccc(NC(=O)c4cc5ccccc5c(=O)[nH]4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is VGRBIOPMUXTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O5/c28-19-8-7-18(22(31)26-19)27-11-13-5-6-14(10-16(13)23(27)32)24-21(30)17-9-12-3-1-2-4-15(12)20(29)25-17/h1-6,9-10,18H,7-8,11H2,(H,24,30)(H,25,29)(H,26,28,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 166425804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).