ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate

C16H16N2O3 — CID 13147294

IUPACethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(OC)n1
InChIInChI=1S/C16H16N2O3/c1-4-21-16(19)12-9-11-10-7-5-6-8-13(10)18(2)14(11)15(17-12)20-3/h5-9H,4H2,1-3H3
InChIKeyWSIYOIQNWOXHCR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.91
Rot. Bonds3

About ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate

ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 13147294) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
PubChem CID13147294
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(OC)n1
InChIInChI=1S/C16H16N2O3/c1-4-21-16(19)12-9-11-10-7-5-6-8-13(10)18(2)14(11)15(17-12)20-3/h5-9H,4H2,1-3H3
InChIKeyWSIYOIQNWOXHCR-UHFFFAOYSA-N
XLogP2.91
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
butyl 1-(3,4-dimethoxyphenyl)-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141484492
methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate
CID 135059953
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
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 5-methylpyrazino[2,3-b]indole-3-carboxylate
CID 177421986
sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
CID 23663807
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate (CID 13147294) is ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(C)c2c(OC)n1.
What is the InChIKey of ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is WSIYOIQNWOXHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-21-16(19)12-9-11-10-7-5-6-8-13(10)18(2)14(11)15(17-12)20-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate?
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13147294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).