methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate

C24H19N3O4 — CID 5327679

IUPACmethyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C
InChIInChI=1S/C24H19N3O4/c1-26-11-16(14-6-4-5-7-18(14)26)20-21(23(29)25-22(20)28)17-12-27(2)19-9-8-13(10-15(17)19)24(30)31-3/h4-12H,1-3H3,(H,25,28,29)
InChIKeyUHNIELRQKFFMTN-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.02
Rot. Bonds3

About methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate

methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate (PubChem CID 5327679) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate
PubChem CID5327679
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Namemethyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C
InChIInChI=1S/C24H19N3O4/c1-26-11-16(14-6-4-5-7-18(14)26)20-21(23(29)25-22(20)28)17-12-27(2)19-9-8-13(10-15(17)19)24(30)31-3/h4-12H,1-3H3,(H,25,28,29)
InChIKeyUHNIELRQKFFMTN-UHFFFAOYSA-N
XLogP3.02
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate with MolForge

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Related Compounds

methyl 1H-indole-5-carboxylate
CID 2737635
Carmoxirole
CID 57364
Indocate
CID 65776
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
CID 2176047
3-(1,5-Dimethyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 5327671
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
1-Methyl-3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-6-carboxylic acid
CID 5327687
3-(1,7-dimethyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327690
3-Substituted indolin-2-one 11b
CID 5329139
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-5-carboxylate
CID 11516830
methyl (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylate
CID 23647617
Methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
CID 141490321

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate (CID 5327679) is methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate is COC(=O)c1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C.
What is the InChIKey of methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate?
The InChIKey is UHNIELRQKFFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-26-11-16(14-6-4-5-7-18(14)26)20-21(23(29)25-22(20)28)17-12-27(2)19-9-8-13(10-15(17)19)24(30)31-3/h4-12H,1-3H3,(H,25,28,29).
What are the key properties of methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate?
methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-5-carboxylate is sourced from PubChem (CID 5327679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).