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

C₁₇H₁₈N₂O₃ — CID 13141161

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

Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13141161) has the molecular formula C₁₇H₁₈N₂O₃ and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 13141161
• Molecular Formula: C₁₇H₁₈N₂O₃
• Molecular Weight: 298.34 g/mol
• Exact Mass: 298.13
• IUPAC Name: ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
• SMILES: CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1CC
• InChI: InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3
• InChIKey: XDGJAPOJCWYAQV-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 64.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.34
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13141161) is ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1CC.

What is the InChIKey of Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is XDGJAPOJCWYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3.

What are the key properties of Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?

Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13141161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13141161 — identifiers, structure, computed properties (public domain)

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