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

C20H22N2O3 — CID 57222245

IUPAC4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(c(OC)c1)C(=Cc1cc3c([nH]1)CCCC3C)C(=O)N2
InChIInChI=1S/C20H22N2O3/c1-11-5-4-6-16-14(11)7-12(21-16)8-15-19-17(22-20(15)23)9-13(24-2)10-18(19)25-3/h7-11,21H,4-6H2,1-3H3,(H,22,23)
InChIKeyIVMSUJKAKHROBW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.96
Rot. Bonds3

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

4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57222245) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
PubChem CID57222245
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc2c(c(OC)c1)C(=Cc1cc3c([nH]1)CCCC3C)C(=O)N2
InChIInChI=1S/C20H22N2O3/c1-11-5-4-6-16-14(11)7-12(21-16)8-15-19-17(22-20(15)23)9-13(24-2)10-18(19)25-3/h7-11,21H,4-6H2,1-3H3,(H,22,23)
InChIKeyIVMSUJKAKHROBW-UHFFFAOYSA-N
XLogP3.96
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57277702
4,6-dimethyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57035975
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
3-[(4,4-dimethyl-1,5,6,7-tetrahydroindol-2-yl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 57168808
5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57262943
1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2870590
3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57269263
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
(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858
2-[2-[(5-butyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-4-yl]acetic acid
CID 57097106
5,6-dimethoxy-3-[(3-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57284016

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (CID 57222245) is 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is COc1cc2c(c(OC)c1)C(=Cc1cc3c([nH]1)CCCC3C)C(=O)N2.
What is the InChIKey of 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is IVMSUJKAKHROBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11-5-4-6-16-14(11)7-12(21-16)8-15-19-17(22-20(15)23)9-13(24-2)10-18(19)25-3/h7-11,21H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57222245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).