ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate

C17H18N2O3 — CID 11001006

IUPACethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(COC)c2c(C)n1
InChIInChI=1S/C17H18N2O3/c1-4-22-17(20)14-9-13-12-7-5-6-8-15(12)19(10-21-3)16(13)11(2)18-14/h5-9H,4,10H2,1-3H3
InChIKeyWIPPQOPGAOLGNX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.28
Rot. Bonds4

About ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate

ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 11001006) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
PubChem CID11001006
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(COC)c2c(C)n1
InChIInChI=1S/C17H18N2O3/c1-4-22-17(20)14-9-13-12-7-5-6-8-15(12)19(10-21-3)16(13)11(2)18-14/h5-9H,4,10H2,1-3H3
InChIKeyWIPPQOPGAOLGNX-UHFFFAOYSA-N
XLogP3.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 118881949
ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
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-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
CID 23663807
carbazol-9-ylmethyl propanoate
CID 122502701
S-[(9-benzyl-1-methylpyrido[3,4-b]indole-3-carbonyl)amino] benzenecarbothioate
CID 171777211
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
ethyl 6-chloro-1-oxopyrimido[1,2-a]quinoline-3-carboxylate
CID 150202984

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate (CID 11001006) is ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(COC)c2c(C)n1.
What is the InChIKey of ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is WIPPQOPGAOLGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-22-17(20)14-9-13-12-7-5-6-8-15(12)19(10-21-3)16(13)11(2)18-14/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate?
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 11001006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).