6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one

C18H15ClN2O — CID 59543256

IUPAC6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one
SMILESCc1cc2ccc(N3Cc4ccc(Cl)cc4C3=O)cc2n1C
InChIInChI=1S/C18H15ClN2O/c1-11-7-12-4-6-15(9-17(12)20(11)2)21-10-13-3-5-14(19)8-16(13)18(21)22/h3-9H,10H2,1-2H3
InChIKeyWXGDUMJCGPREKZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.30
Rot. Bonds1

About 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one

6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one (PubChem CID 59543256) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one
PubChem CID59543256
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one
SMILESCc1cc2ccc(N3Cc4ccc(Cl)cc4C3=O)cc2n1C
InChIInChI=1S/C18H15ClN2O/c1-11-7-12-4-6-15(9-17(12)20(11)2)21-10-13-3-5-14(19)8-16(13)18(21)22/h3-9H,10H2,1-2H3
InChIKeyWXGDUMJCGPREKZ-UHFFFAOYSA-N
XLogP4.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
CID 42600648
2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one
CID 59543225
6-chloro-2-phenyl-3H-isoindol-1-one
CID 156790254
2-(1,2-dimethylindol-5-yl)-6-(2-methylpropyl)-3H-isoindol-1-one
CID 59543278
6-amino-2-(3-chlorophenyl)-3H-isoindol-1-one
CID 82165712
5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-dimethylbenzimidazol-2-one
CID 42597249
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
6-chloro-2-iodo-3H-isoindol-1-one
CID 130250910
1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
CID 143783414
2-(1-methylindol-6-yl)-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 59543234
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
CID 59543279

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one?
The IUPAC name of 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one (CID 59543256) is 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one is Cc1cc2ccc(N3Cc4ccc(Cl)cc4C3=O)cc2n1C.
What is the InChIKey of 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one?
The InChIKey is WXGDUMJCGPREKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-11-7-12-4-6-15(9-17(12)20(11)2)21-10-13-3-5-14(19)8-16(13)18(21)22/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one?
6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one has a molecular weight of 310.78 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).