5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione

C17H8Cl2N2O2 — CID 2168091

IUPAC5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C17H8Cl2N2O2/c18-12-7-10-11(8-13(12)19)17(23)21(16(10)22)14-5-1-3-9-4-2-6-20-15(9)14/h1-8H
InChIKeyHCRLCACFDRCPOP-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.34
Rot. Bonds1

About 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione

5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione (PubChem CID 2168091) has the molecular formula C17H8Cl2N2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
PubChem CID2168091
Molecular FormulaC17H8Cl2N2O2
Molecular Weight343.17 g/mol
Exact Mass342.00
IUPAC Name5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C17H8Cl2N2O2/c18-12-7-10-11(8-13(12)19)17(23)21(16(10)22)14-5-1-3-9-4-2-6-20-15(9)14/h1-8H
InChIKeyHCRLCACFDRCPOP-UHFFFAOYSA-N
XLogP4.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
4-(4-chlorophenoxy)-2-quinolin-8-ylisoindole-1,3-dione
CID 1329880
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 174756197
(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
CID 166443807
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
CID 102337270
(3aS,7aR)-5-chloro-2-quinolin-8-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 713562
5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
CID 683213
5-bromo-3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylisoindol-1-one
CID 122202711
3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
CID 166443239

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione (CID 2168091) is 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2cccnc12.
What is the InChIKey of 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione?
The InChIKey is HCRLCACFDRCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2N2O2/c18-12-7-10-11(8-13(12)19)17(23)21(16(10)22)14-5-1-3-9-4-2-6-20-15(9)14/h1-8H.
What are the key properties of 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione?
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione has a molecular weight of 343.17 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione is sourced from PubChem (CID 2168091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).