2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione

C19H14Cl2N2O2 — CID 145483325

IUPAC2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione
SMILESCCc1cc2cccc(Cl)c2nc1Cl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C11H9Cl2N.C8H5NO2/c1-2-7-6-8-4-3-5-9(12)10(8)14-11(7)13;10-7-5-3-1-2-4-6(5)8(11)9-7/h3-6H,2H2,1H3;1-4H,(H,9,10,11)
InChIKeyYACBAFXXHUCDDD-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.67
Rot. Bonds1

About 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione

2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione (PubChem CID 145483325) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione.

Molecular Properties

Compound Name2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione
PubChem CID145483325
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione
SMILESCCc1cc2cccc(Cl)c2nc1Cl.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C11H9Cl2N.C8H5NO2/c1-2-7-6-8-4-3-5-9(12)10(8)14-11(7)13;10-7-5-3-1-2-4-6(5)8(11)9-7/h3-6H,2H2,1H3;1-4H,(H,9,10,11)
InChIKeyYACBAFXXHUCDDD-UHFFFAOYSA-N
XLogP4.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione?
The IUPAC name of 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione (CID 145483325) is 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione.
What is the SMILES notation for 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione?
The canonical SMILES for 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione is CCc1cc2cccc(Cl)c2nc1Cl.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione?
The InChIKey is YACBAFXXHUCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N.C8H5NO2/c1-2-7-6-8-4-3-5-9(12)10(8)14-11(7)13;10-7-5-3-1-2-4-6(5)8(11)9-7/h3-6H,2H2,1H3;1-4H,(H,9,10,11).
What are the key properties of 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione?
2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione has a molecular weight of 373.24 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-ethylquinoline;isoindole-1,3-dione is sourced from PubChem (CID 145483325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).