2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate

C23H22N2O4 — CID 101469284

IUPAC2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1C1C(=O)Nc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-14-18(23(27)29-13-12-28-2)20(21(24-14)15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)25-22(19)26/h3-11,19,24H,12-13H2,1-2H3,(H,25,26)
InChIKeyYSVYNIPVRMCXDE-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.88
Rot. Bonds6

About 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate

2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate (PubChem CID 101469284) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
PubChem CID101469284
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1C1C(=O)Nc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-14-18(23(27)29-13-12-28-2)20(21(24-14)15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)25-22(19)26/h3-11,19,24H,12-13H2,1-2H3,(H,25,26)
InChIKeyYSVYNIPVRMCXDE-UHFFFAOYSA-N
XLogP3.88
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-4-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377503
methyl 2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-5-thiophen-3-yl-1H-pyrrole-3-carboxylate
CID 93232872
methyl 5-(4-methoxyphenyl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42655394
methyl 5-(3-methoxyphenyl)-2-methyl-4-[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
CID 51720209
methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39351546
methyl 2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377870
methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
CID 93232877
methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42654162
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
methyl 4-[(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylate
CID 98139924
methyl 4-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-2-methyl-5-thiophen-2-yl-1H-pyrrole-3-carboxylate
CID 92859220
1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-6-(4-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047647

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate (CID 101469284) is 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1C1C(=O)Nc2ccccc21.
What is the InChIKey of 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate?
The InChIKey is YSVYNIPVRMCXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-18(23(27)29-13-12-28-2)20(21(24-14)15-8-4-3-5-9-15)19-16-10-6-7-11-17(16)25-22(19)26/h3-11,19,24H,12-13H2,1-2H3,(H,25,26).
What are the key properties of 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate?
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 101469284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).