N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide

C69H64N10O13 — CID 134204625

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
SMILESCCOc1ccc(C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(CNC(=O)c4ccccc4)ccc3C2=O)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;1-2-31-17-6-4-15(5-7-17)21(28)24-12-14-3-8-18-16(11-14)13-26(23(18)30)19-9-10-20(27)25-22(19)29;25-18-9-8-17(20(27)23-18)24-12-15-10-13(6-7-16(15)21(24)28)11-22-19(26)14-4-2-1-3-5-14/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,24,28)(H,25,27,29);1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27)
InChIKeySBHRVIXQKAEDGG-UHFFFAOYSA-N
MW1241.33 g/mol
LogP5.01
Rot. Bonds15

About N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide (PubChem CID 134204625) has the molecular formula C69H64N10O13 and a molecular weight of 1241.33 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
PubChem CID134204625
Molecular FormulaC69H64N10O13
Molecular Weight1241.33 g/mol
Exact Mass1240.47
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
SMILESCCOc1ccc(C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(CNC(=O)c4ccccc4)ccc3C2=O)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;1-2-31-17-6-4-15(5-7-17)21(28)24-12-14-3-8-18-16(11-14)13-26(23(18)30)19-9-10-20(27)25-22(19)29;25-18-9-8-17(20(27)23-18)24-12-15-10-13(6-7-16(15)21(24)28)11-22-19(26)14-4-2-1-3-5-14/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,24,28)(H,25,27,29);1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27)
InChIKeySBHRVIXQKAEDGG-UHFFFAOYSA-N
XLogP5.01
TPSA308.86 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.33
LogP ≤ 55.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;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-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide (CID 134204625) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;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-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide is CCOc1ccc(C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1.O=C(Cc1ccc2ncccc2c1)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(CNC(=O)c4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
The InChIKey is SBHRVIXQKAEDGG-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;1-2-31-17-6-4-15(5-7-17)21(28)24-12-14-3-8-18-16(11-14)13-26(23(18)30)19-9-10-20(27)25-22(19)29;25-18-9-8-17(20(27)23-18)24-12-15-10-13(6-7-16(15)21(24)28)11-22-19(26)14-4-2-1-3-5-14/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,24,28)(H,25,27,29);1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;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, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide is sourced from PubChem (CID 134204625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).