2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

C20H17ClN2O3 — CID 70546021

IUPAC2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(OCc2ncccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c21-17-6-3-11-22-18(17)12-26-14-9-7-13(8-10-14)23-19(24)15-4-1-2-5-16(15)20(23)25/h3,6-11H,1-2,4-5,12H2
InChIKeyRDJHUGLWHJZCDO-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.06
Rot. Bonds4

About 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 70546021) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID70546021
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(OCc2ncccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c21-17-6-3-11-22-18(17)12-26-14-9-7-13(8-10-14)23-19(24)15-4-1-2-5-16(15)20(23)25/h3,6-11H,1-2,4-5,12H2
InChIKeyRDJHUGLWHJZCDO-UHFFFAOYSA-N
XLogP4.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 70546021) is 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1c1ccc(OCc2ncccc2Cl)cc1.
What is the InChIKey of 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is RDJHUGLWHJZCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-17-6-3-11-22-18(17)12-26-14-9-7-13(8-10-14)23-19(24)15-4-1-2-5-16(15)20(23)25/h3,6-11H,1-2,4-5,12H2.
What are the key properties of 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 368.82 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 70546021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).