methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate

C25H26N2O8 — CID 122232254

IUPACmethyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cc3c(OC)cc(OC)c4cc(C(=O)OC)[nH]c34)c(OC)c(OC)cc2[nH]1
InChIInChI=1S/C25H26N2O8/c1-30-19-11-20(31-2)15-9-18(25(29)35-6)27-22(15)14(19)7-13-12-8-17(24(28)34-5)26-16(12)10-21(32-3)23(13)33-4/h8-11,26-27H,7H2,1-6H3
InChIKeyFLUXXFPFGGJNPS-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.85
Rot. Bonds8

About methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate

methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate (PubChem CID 122232254) has the molecular formula C25H26N2O8 and a molecular weight of 482.49 g/mol. Its IUPAC name is methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
PubChem CID122232254
Molecular FormulaC25H26N2O8
Molecular Weight482.49 g/mol
Exact Mass482.17
IUPAC Namemethyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cc3c(OC)cc(OC)c4cc(C(=O)OC)[nH]c34)c(OC)c(OC)cc2[nH]1
InChIInChI=1S/C25H26N2O8/c1-30-19-11-20(31-2)15-9-18(25(29)35-6)27-22(15)14(19)7-13-12-8-17(24(28)34-5)26-16(12)10-21(32-3)23(13)33-4/h8-11,26-27H,7H2,1-6H3
InChIKeyFLUXXFPFGGJNPS-UHFFFAOYSA-N
XLogP3.85
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
CID 141315476
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate (CID 122232254) is methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(Cc3c(OC)cc(OC)c4cc(C(=O)OC)[nH]c34)c(OC)c(OC)cc2[nH]1.
What is the InChIKey of methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is FLUXXFPFGGJNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O8/c1-30-19-11-20(31-2)15-9-18(25(29)35-6)27-22(15)14(19)7-13-12-8-17(24(28)34-5)26-16(12)10-21(32-3)23(13)33-4/h8-11,26-27H,7H2,1-6H3.
What are the key properties of methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate?
methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 482.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 122232254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).