ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate

C22H24N2O6 — CID 24808168

IUPACethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2ccc(C)cc21
InChIInChI=1S/C22H24N2O6/c1-6-30-22(26)24-15-9-12(2)7-8-14(15)18(23)19(24)20(25)13-10-16(27-3)21(29-5)17(11-13)28-4/h7-11H,6,23H2,1-5H3
InChIKeyIFANZKREFUSEBY-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.79
Rot. Bonds6

About ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate

ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate (PubChem CID 24808168) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate
PubChem CID24808168
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Nameethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2ccc(C)cc21
InChIInChI=1S/C22H24N2O6/c1-6-30-22(26)24-15-9-12(2)7-8-14(15)18(23)19(24)20(25)13-10-16(27-3)21(29-5)17(11-13)28-4/h7-11H,6,23H2,1-5H3
InChIKeyIFANZKREFUSEBY-UHFFFAOYSA-N
XLogP3.79
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644
ethyl 3-amino-6-chloro-2-[4-(trifluoromethoxy)benzoyl]indole-1-carboxylate
CID 18368133
methyl 3-amino-1,6-dimethylindole-2-carboxylate
CID 4777734
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969
ethyl 3-acetamido-2-benzoyl-4,5-dimethoxyindole-1-carboxylate
CID 18368084
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,5-dimethylbenzoate
CID 23732985
(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45271275
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2572005

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate?
The IUPAC name of ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate (CID 24808168) is ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate is CCOC(=O)n1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2ccc(C)cc21.
What is the InChIKey of ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate?
The InChIKey is IFANZKREFUSEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-6-30-22(26)24-15-9-12(2)7-8-14(15)18(23)19(24)20(25)13-10-16(27-3)21(29-5)17(11-13)28-4/h7-11H,6,23H2,1-5H3.
What are the key properties of ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate?
ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate is sourced from PubChem (CID 24808168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).