ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

C16H16N2O3 — CID 13041786

IUPACethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
InChIInChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3
InChIKeyIUHKSTINHDUYRO-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.04
Rot. Bonds4

About ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13041786) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13041786
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
InChIInChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3
InChIKeyIUHKSTINHDUYRO-UHFFFAOYSA-N
XLogP3.04
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Abecarnil
CID 65914
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
CID 104999
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Propyl beta-carboline-3-carboxylate
CID 123662
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
SB 203186
CID 3272300

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13041786) is ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC.
What is the InChIKey of ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is IUHKSTINHDUYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3.
What are the key properties of ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13041786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).