ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate

C18H20N2O4 — CID 13141156

IUPACethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC
InChIInChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3
InChIKeyQRZNWQBPKJMWHT-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.47
Rot. Bonds5

About ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13141156) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13141156
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC
InChIInChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3
InChIKeyQRZNWQBPKJMWHT-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13141156) is ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC.
What is the InChIKey of ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is QRZNWQBPKJMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3.
What are the key properties of ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13141156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).