4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C17H18N2O3 — CID 21288062

IUPAC4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ncc2[nH]c3cccc(C(C)OC)c3c12
InChIInChI=1S/C17H18N2O3/c1-4-10-14-13(8-18-16(10)17(20)21)19-12-7-5-6-11(15(12)14)9(2)22-3/h5-9,19H,4H2,1-3H3,(H,20,21)
InChIKeyOZMFGKAITVADGD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.68
Rot. Bonds4

About 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 21288062) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID21288062
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ncc2[nH]c3cccc(C(C)OC)c3c12
InChIInChI=1S/C17H18N2O3/c1-4-10-14-13(8-18-16(10)17(20)21)19-12-7-5-6-11(15(12)14)9(2)22-3/h5-9,19H,4H2,1-3H3,(H,20,21)
InChIKeyOZMFGKAITVADGD-UHFFFAOYSA-N
XLogP3.68
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 21288062) is 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is CCc1c(C(=O)O)ncc2[nH]c3cccc(C(C)OC)c3c12.
What is the InChIKey of 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is OZMFGKAITVADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-10-14-13(8-18-16(10)17(20)21)19-12-7-5-6-11(15(12)14)9(2)22-3/h5-9,19H,4H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 21288062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).