[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate

C18H20N2O4 — CID 67938071

IUPAC[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
SMILESCCOCc1cccc2[nH]c3cnc(OC(=O)OCC)c(C)c3c12
InChIInChI=1S/C18H20N2O4/c1-4-22-10-12-7-6-8-13-16(12)15-11(3)17(19-9-14(15)20-13)24-18(21)23-5-2/h6-9,20H,4-5,10H2,1-3H3
InChIKeyVLLMEWNLJXWXFC-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.10
Rot. Bonds5

About [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate

[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate (PubChem CID 67938071) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
PubChem CID67938071
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
SMILESCCOCc1cccc2[nH]c3cnc(OC(=O)OCC)c(C)c3c12
InChIInChI=1S/C18H20N2O4/c1-4-22-10-12-7-6-8-13-16(12)15-11(3)17(19-9-14(15)20-13)24-18(21)23-5-2/h6-9,20H,4-5,10H2,1-3H3
InChIKeyVLLMEWNLJXWXFC-UHFFFAOYSA-N
XLogP4.10
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The IUPAC name of [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate (CID 67938071) is [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate.
What is the SMILES notation for [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The canonical SMILES for [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate is CCOCc1cccc2[nH]c3cnc(OC(=O)OCC)c(C)c3c12.
What is the InChIKey of [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The InChIKey is VLLMEWNLJXWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-22-10-12-7-6-8-13-16(12)15-11(3)17(19-9-14(15)20-13)24-18(21)23-5-2/h6-9,20H,4-5,10H2,1-3H3.
What are the key properties of [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
[5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate has a molecular weight of 328.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate is sourced from PubChem (CID 67938071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).