3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H13ClN2O4 — CID 167342046

IUPAC3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc(Cl)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13ClN2O4/c1-21-10-4-2-8(15)12-7(10)6-17(14(12)20)9-3-5-11(18)16-13(9)19/h2,4,9H,3,5-6H2,1H3,(H,16,18,19)
InChIKeyGQZZNBAOVMVRPO-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.11
Rot. Bonds2

About 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167342046) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167342046
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc(Cl)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13ClN2O4/c1-21-10-4-2-8(15)12-7(10)6-17(14(12)20)9-3-5-11(18)16-13(9)19/h2,4,9H,3,5-6H2,1H3,(H,16,18,19)
InChIKeyGQZZNBAOVMVRPO-UHFFFAOYSA-N
XLogP1.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342126
3-(4-chloro-7-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342054
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
CID 163510675
3-[5-chloro-4-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342407
(3S)-3-[7-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 121314503
3-(6-chloro-4-methoxy-3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)piperidine-2,6-dione
CID 168992609
2-(2,6-dioxopiperidin-3-yl)-3-oxo-7-(trifluoromethoxy)-1H-isoindole-4-carbonitrile
CID 167342394
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl] N-(3-chloro-4-methylphenyl)-N-methylcarbamate
CID 166074313
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167342046) is 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1ccc(Cl)c2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GQZZNBAOVMVRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-21-10-4-2-8(15)12-7(10)6-17(14(12)20)9-3-5-11(18)16-13(9)19/h2,4,9H,3,5-6H2,1H3,(H,16,18,19).
What are the key properties of 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 308.72 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167342046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).