6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one

C17H15ClN2O3 — CID 135559647

IUPAC6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c2ccc(Cl)c3C)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-9-12(18)6-5-11-15(9)20-17(21)16(11)19-13-7-4-10(22-2)8-14(13)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyLOLPCEVIFUBPQM-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.74
Rot. Bonds3

About 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one

6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559647) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559647
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c2ccc(Cl)c3C)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-9-12(18)6-5-11-15(9)20-17(21)16(11)19-13-7-4-10(22-2)8-14(13)23-3/h4-8H,1-3H3,(H,19,20,21)
InChIKeyLOLPCEVIFUBPQM-UHFFFAOYSA-N
XLogP3.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559792
5-bromo-6-chloro-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559793
6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559640
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559720
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135834941
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559807
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
CID 135537853
3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
CID 75359348

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (CID 135559647) is 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is COc1ccc(/N=C2\C(=O)Nc3c2ccc(Cl)c3C)c(OC)c1.
What is the InChIKey of 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is LOLPCEVIFUBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-9-12(18)6-5-11-15(9)20-17(21)16(11)19-13-7-4-10(22-2)8-14(13)23-3/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 330.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).