methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate

C20H16N4O3 — CID 11588540

IUPACmethyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
SMILESCOC(=O)n1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N4O3/c1-27-20(26)24-12-13(14-6-3-5-9-18(14)24)10-22-23-19(25)16-11-21-17-8-4-2-7-15(16)17/h2-12,21H,1H3,(H,23,25)/b22-10-
InChIKeyACHCLUUTVBSBCH-YVNNLAQVSA-N
MW360.37 g/mol
LogP3.50
Rot. Bonds3

About methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate

methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate (PubChem CID 11588540) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
PubChem CID11588540
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Namemethyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
SMILESCOC(=O)n1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N4O3/c1-27-20(26)24-12-13(14-6-3-5-9-18(14)24)10-22-23-19(25)16-11-21-17-8-4-2-7-15(16)17/h2-12,21H,1H3,(H,23,25)/b22-10-
InChIKeyACHCLUUTVBSBCH-YVNNLAQVSA-N
XLogP3.50
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.50
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

N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate?
The IUPAC name of methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate (CID 11588540) is methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate.
What is the SMILES notation for methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate?
The canonical SMILES for methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate is COC(=O)n1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate?
The InChIKey is ACHCLUUTVBSBCH-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-27-20(26)24-12-13(14-6-3-5-9-18(14)24)10-22-23-19(25)16-11-21-17-8-4-2-7-15(16)17/h2-12,21H,1H3,(H,23,25)/b22-10-.
What are the key properties of methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate?
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate is sourced from PubChem (CID 11588540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).