3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione

C89H93ClN12O18 — CID 167707122

IUPAC3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESC#Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.CCc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.COc1cc(C)c(C)cc1N1CCC(=O)NC1=O.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(Cl)cc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N2O3.C16H14N2O3.2C15H16N2O3.C14H13ClN2O3.C13H16N2O3/c2*1-3-10-6-9(2)12-8-18(16(21)11(12)7-10)13-4-5-14(19)17-15(13)20;2*1-8-5-9(2)11-7-17(15(20)10(11)6-8)12-3-4-13(18)16-14(12)19;1-7-4-8(15)5-9-10(7)6-17(14(9)20)11-2-3-12(18)16-13(11)19;1-8-6-10(11(18-3)7-9(8)2)15-5-4-12(16)14-13(15)17/h6-7,13H,3-5,8H2,1-2H3,(H,17,19,20);1,6-7,13H,4-5,8H2,2H3,(H,17,19,20);2*5-6,12H,3-4,7H2,1-2H3,(H,16,18,19);4-5,11H,2-3,6H2,1H3,(H,16,18,19);6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyZGKSBSZKAXAYBC-UHFFFAOYSA-N
MW1654.24 g/mol
LogP7.35
Rot. Bonds8

About 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione

3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 167707122) has the molecular formula C89H93ClN12O18 and a molecular weight of 1654.24 g/mol. Its IUPAC name is 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione
PubChem CID167707122
Molecular FormulaC89H93ClN12O18
Molecular Weight1654.24 g/mol
Exact Mass1652.64
IUPAC Name3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESC#Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.CCc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.COc1cc(C)c(C)cc1N1CCC(=O)NC1=O.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(Cl)cc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N2O3.C16H14N2O3.2C15H16N2O3.C14H13ClN2O3.C13H16N2O3/c2*1-3-10-6-9(2)12-8-18(16(21)11(12)7-10)13-4-5-14(19)17-15(13)20;2*1-8-5-9(2)11-7-17(15(20)10(11)6-8)12-3-4-13(18)16-14(12)19;1-7-4-8(15)5-9-10(7)6-17(14(9)20)11-2-3-12(18)16-13(11)19;1-8-6-10(11(18-3)7-9(8)2)15-5-4-12(16)14-13(15)17/h6-7,13H,3-5,8H2,1-2H3,(H,17,19,20);1,6-7,13H,4-5,8H2,2H3,(H,17,19,20);2*5-6,12H,3-4,7H2,1-2H3,(H,16,18,19);4-5,11H,2-3,6H2,1H3,(H,16,18,19);6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyZGKSBSZKAXAYBC-UHFFFAOYSA-N
XLogP7.35
TPSA391.04 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001654.24
LogP ≤ 57.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione (CID 167707122) is 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione is C#Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.CCc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.COc1cc(C)c(C)cc1N1CCC(=O)NC1=O.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(C)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.Cc1cc(Cl)cc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZGKSBSZKAXAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.C16H14N2O3.2C15H16N2O3.C14H13ClN2O3.C13H16N2O3/c2*1-3-10-6-9(2)12-8-18(16(21)11(12)7-10)13-4-5-14(19)17-15(13)20;2*1-8-5-9(2)11-7-17(15(20)10(11)6-8)12-3-4-13(18)16-14(12)19;1-7-4-8(15)5-9-10(7)6-17(14(9)20)11-2-3-12(18)16-13(11)19;1-8-6-10(11(18-3)7-9(8)2)15-5-4-12(16)14-13(15)17/h6-7,13H,3-5,8H2,1-2H3,(H,17,19,20);1,6-7,13H,4-5,8H2,2H3,(H,17,19,20);2*5-6,12H,3-4,7H2,1-2H3,(H,16,18,19);4-5,11H,2-3,6H2,1H3,(H,16,18,19);6-7H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 1654.24 g/mol, XLogP of 7.35, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(5,7-dimethyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);3-(5-ethyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(5-ethynyl-7-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;1-(2-methoxy-4,5-dimethylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).