5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

C22H26N2O3 — CID 57277702

IUPAC5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)C(=Cc1cc3c([nH]1)CCCC3C(C)C)C(=O)N2
InChIInChI=1S/C22H26N2O3/c1-12(2)14-6-5-7-18-15(14)8-13(23-18)9-17-16-10-20(26-3)21(27-4)11-19(16)24-22(17)25/h8-12,14,23H,5-7H2,1-4H3,(H,24,25)
InChIKeyZDSTWEOERGDZHK-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.60
Rot. Bonds4

About 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57277702) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
PubChem CID57277702
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(cc1OC)C(=Cc1cc3c([nH]1)CCCC3C(C)C)C(=O)N2
InChIInChI=1S/C22H26N2O3/c1-12(2)14-6-5-7-18-15(14)8-13(23-18)9-17-16-10-20(26-3)21(27-4)11-19(16)24-22(17)25/h8-12,14,23H,5-7H2,1-4H3,(H,24,25)
InChIKeyZDSTWEOERGDZHK-UHFFFAOYSA-N
XLogP4.60
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57035975
5-chloro-7-methyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57247693
3-[(4,4-dimethyl-1,5,6,7-tetrahydroindol-2-yl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 57168808
4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57222245
5,6-dimethoxy-3-[(3-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57284016
5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57262943
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57269263
2-[(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile
CID 57200109
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
(3E)-3-[[4-(2-aminocyclobutyl)phenyl]methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 143079171
3-[(4-ethoxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 936230

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (CID 57277702) is 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is COc1cc2c(cc1OC)C(=Cc1cc3c([nH]1)CCCC3C(C)C)C(=O)N2.
What is the InChIKey of 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is ZDSTWEOERGDZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-12(2)14-6-5-7-18-15(14)8-13(23-18)9-17-16-10-20(26-3)21(27-4)11-19(16)24-22(17)25/h8-12,14,23H,5-7H2,1-4H3,(H,24,25).
What are the key properties of 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 366.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57277702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).