8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione

C21H17ClN2O2 — CID 145483320

IUPAC8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione
SMILESC=Cc1nc2c(Cl)cccc2cc1CC.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C13H12ClN.C8H5NO2/c1-3-9-8-10-6-5-7-11(14)13(10)15-12(9)4-2;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-8H,2-3H2,1H3;1-4H,(H,9,10,11)
InChIKeySXFHRMQJVOPOFN-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.66
Rot. Bonds2

About 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione

8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione (PubChem CID 145483320) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione.

Molecular Properties

Compound Name8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione
PubChem CID145483320
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione
SMILESC=Cc1nc2c(Cl)cccc2cc1CC.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C13H12ClN.C8H5NO2/c1-3-9-8-10-6-5-7-11(14)13(10)15-12(9)4-2;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-8H,2-3H2,1H3;1-4H,(H,9,10,11)
InChIKeySXFHRMQJVOPOFN-UHFFFAOYSA-N
XLogP4.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione?
The IUPAC name of 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione (CID 145483320) is 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione.
What is the SMILES notation for 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione?
The canonical SMILES for 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione is C=Cc1nc2c(Cl)cccc2cc1CC.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione?
The InChIKey is SXFHRMQJVOPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN.C8H5NO2/c1-3-9-8-10-6-5-7-11(14)13(10)15-12(9)4-2;10-7-5-3-1-2-4-6(5)8(11)9-7/h4-8H,2-3H2,1H3;1-4H,(H,9,10,11).
What are the key properties of 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione?
8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione has a molecular weight of 364.83 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethenyl-3-ethylquinoline;isoindole-1,3-dione is sourced from PubChem (CID 145483320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).