5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one

C17H14Cl2N2O4 — CID 135537853

IUPAC5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
SMILESCOc1cc(/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc(OC)c1OC
InChIInChI=1S/C17H14Cl2N2O4/c1-23-12-6-9(7-13(24-2)16(12)25-3)20-15-10-4-8(18)5-11(19)14(10)21-17(15)22/h4-7H,1-3H3,(H,20,21,22)
InChIKeyFUEBOJGVXAUOPO-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.09
Rot. Bonds4

About 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one

5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one (PubChem CID 135537853) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
PubChem CID135537853
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
SMILESCOc1cc(/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc(OC)c1OC
InChIInChI=1S/C17H14Cl2N2O4/c1-23-12-6-9(7-13(24-2)16(12)25-3)20-15-10-4-8(18)5-11(19)14(10)21-17(15)22/h4-7H,1-3H3,(H,20,21,22)
InChIKeyFUEBOJGVXAUOPO-UHFFFAOYSA-N
XLogP4.09
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one (CID 135537853) is 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one is COc1cc(/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc(OC)c1OC.
What is the InChIKey of 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one?
The InChIKey is FUEBOJGVXAUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-23-12-6-9(7-13(24-2)16(12)25-3)20-15-10-4-8(18)5-11(19)14(10)21-17(15)22/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one?
5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one has a molecular weight of 381.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135537853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).