methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate

C20H18N2O4 — CID 86006540

IUPACmethyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-24-16-9-12-14(10-17(16)25-2)22-19(20(23)26-3)18(12)15-8-11-6-4-5-7-13(11)21-15/h4-10,21-22H,1-3H3
InChIKeyTWAAMNZUZJJAQE-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.12
Rot. Bonds4

About methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate

methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate (PubChem CID 86006540) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
PubChem CID86006540
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-24-16-9-12-14(10-17(16)25-2)22-19(20(23)26-3)18(12)15-8-11-6-4-5-7-13(11)21-15/h4-10,21-22H,1-3H3
InChIKeyTWAAMNZUZJJAQE-UHFFFAOYSA-N
XLogP4.12
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
CID 11522202
methyl 3-phenanthren-9-yl-1H-indole-2-carboxylate
CID 46183126
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
CID 660254
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
methyl 4-bromo-2-(1H-indol-2-yl)benzoate
CID 150817148
methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate
CID 171676581
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
3-(1H-indol-2-yl)-4-methoxychromen-2-one
CID 177487143

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate (CID 86006540) is methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1-c1cc2ccccc2[nH]1.
What is the InChIKey of methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate?
The InChIKey is TWAAMNZUZJJAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-16-9-12-14(10-17(16)25-2)22-19(20(23)26-3)18(12)15-8-11-6-4-5-7-13(11)21-15/h4-10,21-22H,1-3H3.
What are the key properties of methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate?
methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 86006540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).