ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C16H16N2O3 — CID 13133996

IUPACethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1C
InChIInChI=1S/C16H16N2O3/c1-4-21-16(19)15-9(2)14-11-7-10(20-3)5-6-12(11)18-13(14)8-17-15/h5-8,18H,4H2,1-3H3
InChIKeyXNOWWTWEIAHQDY-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.21
Rot. Bonds3

About ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13133996) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13133996
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Nameethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1C
InChIInChI=1S/C16H16N2O3/c1-4-21-16(19)15-9(2)14-11-7-10(20-3)5-6-12(11)18-13(14)8-17-15/h5-8,18H,4H2,1-3H3
InChIKeyXNOWWTWEIAHQDY-UHFFFAOYSA-N
XLogP3.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13371564
ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134028
ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134021
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870
ethyl 4-ethyl-6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54406749
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664
ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate
CID 155927166
ethyl 6,7-dimethoxy-4-(2-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54083222

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13133996) is ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1C.
What is the InChIKey of ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is XNOWWTWEIAHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-21-16(19)15-9(2)14-11-7-10(20-3)5-6-12(11)18-13(14)8-17-15/h5-8,18H,4H2,1-3H3.
What are the key properties of ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13133996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).