N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide

C69H64N10O13 — CID 134204626

IUPACN-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
SMILESCCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3ccc(C(=O)NC(=O)c4ccccc4)cc3C2)C(=O)N1
InChIInChI=1S/C25H22N4O4.C23H23N3O5.C21H19N3O4/c30-22-8-7-21(24(32)28-22)29-14-18-11-16(3-5-19(18)25(29)33)13-27-23(31)12-15-4-6-20-17(10-15)2-1-9-26-20;1-2-31-18-7-5-14(6-8-18)21(28)25-22(29)15-3-4-16-12-26(13-17(16)11-15)19-9-10-20(27)24-23(19)30;25-18-9-8-17(21(28)22-18)24-11-15-7-6-14(10-16(15)12-24)20(27)23-19(26)13-4-2-1-3-5-13/h1-6,9-11,21H,7-8,12-14H2,(H,27,31)(H,28,30,32);3-8,11,19H,2,9-10,12-13H2,1H3,(H,24,27,30)(H,25,28,29);1-7,10,17H,8-9,11-12H2,(H,22,25,28)(H,23,26,27)
InChIKeySBOLONODXGGYPZ-UHFFFAOYSA-N
MW1241.33 g/mol
LogP5.01
Rot. Bonds13

About N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide

N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide (PubChem CID 134204626) has the molecular formula C69H64N10O13 and a molecular weight of 1241.33 g/mol. Its IUPAC name is N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
PubChem CID134204626
Molecular FormulaC69H64N10O13
Molecular Weight1241.33 g/mol
Exact Mass1240.47
IUPAC NameN-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
SMILESCCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3ccc(C(=O)NC(=O)c4ccccc4)cc3C2)C(=O)N1
InChIInChI=1S/C25H22N4O4.C23H23N3O5.C21H19N3O4/c30-22-8-7-21(24(32)28-22)29-14-18-11-16(3-5-19(18)25(29)33)13-27-23(31)12-15-4-6-20-17(10-15)2-1-9-26-20;1-2-31-18-7-5-14(6-8-18)21(28)25-22(29)15-3-4-16-12-26(13-17(16)11-15)19-9-10-20(27)24-23(19)30;25-18-9-8-17(21(28)22-18)24-11-15-7-6-14(10-16(15)12-24)20(27)23-19(26)13-4-2-1-3-5-13/h1-6,9-11,21H,7-8,12-14H2,(H,27,31)(H,28,30,32);3-8,11,19H,2,9-10,12-13H2,1H3,(H,24,27,30)(H,25,28,29);1-7,10,17H,8-9,11-12H2,(H,22,25,28)(H,23,26,27)
InChIKeySBOLONODXGGYPZ-UHFFFAOYSA-N
XLogP5.01
TPSA308.86 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.33
LogP ≤ 55.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The IUPAC name of N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide (CID 134204626) is N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide.
What is the SMILES notation for N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The canonical SMILES for N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide is CCOc1ccc(C(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3ccc(C(=O)NC(=O)c4ccccc4)cc3C2)C(=O)N1.
What is the InChIKey of N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The InChIKey is SBOLONODXGGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4.C23H23N3O5.C21H19N3O4/c30-22-8-7-21(24(32)28-22)29-14-18-11-16(3-5-19(18)25(29)33)13-27-23(31)12-15-4-6-20-17(10-15)2-1-9-26-20;1-2-31-18-7-5-14(6-8-18)21(28)25-22(29)15-3-4-16-12-26(13-17(16)11-15)19-9-10-20(27)24-23(19)30;25-18-9-8-17(21(28)22-18)24-11-15-7-6-14(10-16(15)12-24)20(27)23-19(26)13-4-2-1-3-5-13/h1-6,9-11,21H,7-8,12-14H2,(H,27,31)(H,28,30,32);3-8,11,19H,2,9-10,12-13H2,1H3,(H,24,27,30)(H,25,28,29);1-7,10,17H,8-9,11-12H2,(H,22,25,28)(H,23,26,27).
What are the key properties of N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide has a molecular weight of 1241.33 g/mol, XLogP of 5.01, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide is sourced from PubChem (CID 134204626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).