ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate

C24H24N2O5 — CID 25266085

IUPACethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C24H24N2O5/c1-6-31-24(27)17-13-16-15-9-7-8-10-18(15)26(2)22(16)21(25-17)14-11-19(28-3)23(30-5)20(12-14)29-4/h7-13H,6H2,1-5H3
InChIKeyCAYKUVIEFWVPSR-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.60
Rot. Bonds6

About ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate

ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate (PubChem CID 25266085) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
PubChem CID25266085
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C24H24N2O5/c1-6-31-24(27)17-13-16-15-9-7-8-10-18(15)26(2)22(16)21(25-17)14-11-19(28-3)23(30-5)20(12-14)29-4/h7-13H,6H2,1-5H3
InChIKeyCAYKUVIEFWVPSR-UHFFFAOYSA-N
XLogP4.60
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
butyl 1-(3,4-dimethoxyphenyl)-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141484492
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate
CID 135059953
ethyl 9-[3-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539946
ethyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 122187130
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 1-(2,3-dimethoxyphenyl)-5,6,7-trimethoxyisoquinoline-3-carboxylate
CID 10862860
methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668

Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate (CID 25266085) is ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is CAYKUVIEFWVPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-6-31-24(27)17-13-16-15-9-7-8-10-18(15)26(2)22(16)21(25-17)14-11-19(28-3)23(30-5)20(12-14)29-4/h7-13H,6H2,1-5H3.
What are the key properties of ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate?
ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 25266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).