ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate

C18H16N2O3 — CID 23820110

IUPACethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
SMILESCCOC(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)12-8-10-13(11-9-12)19-16-14-6-4-5-7-15(14)20(2)17(16)21/h4-11H,3H2,1-2H3/b19-16-
InChIKeyQQGDFGCWEZDNGP-MNDPQUGUSA-N
MW308.34 g/mol
LogP2.96
Rot. Bonds3

About ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate

ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate (PubChem CID 23820110) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
PubChem CID23820110
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate
SMILESCCOC(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)12-8-10-13(11-9-12)19-16-14-6-4-5-7-15(14)20(2)17(16)21/h4-11H,3H2,1-2H3/b19-16-
InChIKeyQQGDFGCWEZDNGP-MNDPQUGUSA-N
XLogP2.96
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-phenyliminoindol-2-one
CID 11218587
4-[(1-ethyl-2-oxoindol-3-ylidene)amino]benzamide
CID 23938505
methyl 4-[(2-oxo-1-propan-2-ylindol-3-ylidene)amino]benzoate
CID 23880170
methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23826464
ethyl 4-[[3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4038386
1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one
CID 17370043
ethyl 4-[(3,4-dichloro-5-oxofuran-2-ylidene)amino]benzoate
CID 622737
ethyl 4-[[(5Z)-3-methyl-4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 6208771
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-[(E)-2-(1,3-dimethyl-2-oxoindol-3-yl)ethenyl]benzoate
CID 135068479
CID 158970570
CID 158970570
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate?
The IUPAC name of ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate (CID 23820110) is ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate is CCOC(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate?
The InChIKey is QQGDFGCWEZDNGP-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-23-18(22)12-8-10-13(11-9-12)19-16-14-6-4-5-7-15(14)20(2)17(16)21/h4-11H,3H2,1-2H3/b19-16-.
What are the key properties of ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate?
ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate has a molecular weight of 308.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methyl-2-oxoindol-3-ylidene)amino]benzoate is sourced from PubChem (CID 23820110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).