5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

C19H19N3O4 — CID 6889967

IUPAC5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O4/c1-24-14-6-4-12(5-7-14)11-20-22-19(23)16-8-13-9-17(25-2)18(26-3)10-15(13)21-16/h4-11,21H,1-3H3,(H,22,23)/b20-11+
InChIKeyFAPVITOQIDPXAA-RGVLZGJSSA-N
MW353.38 g/mol
LogP2.96
Rot. Bonds6

About 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 6889967) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID6889967
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O4/c1-24-14-6-4-12(5-7-14)11-20-22-19(23)16-8-13-9-17(25-2)18(26-3)10-15(13)21-16/h4-11,21H,1-3H3,(H,22,23)/b20-11+
InChIKeyFAPVITOQIDPXAA-RGVLZGJSSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
CID 104999
Koeniginequinone B
CID 11184822
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
2,3-Dimethoxypaullone
CID 396081
D-64131
CID 3921152
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166629751
N-[(E)-(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 6890306
N'-[(E)-(4-fluorophenyl)methylidene]-5,6-dimethoxy-1H-indole-2-carbohydrazide
CID 9557764
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-(2-methyl-1H-indol-3-yl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-amide
CID 135614917
6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
CID 260801
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester
CID 660254

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 6889967) is 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is FAPVITOQIDPXAA-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-14-6-4-12(5-7-14)11-20-22-19(23)16-8-13-9-17(25-2)18(26-3)10-15(13)21-16/h4-11,21H,1-3H3,(H,22,23)/b20-11+.
What are the key properties of 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 6889967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).