9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

C20H19N3O — CID 141471073

IUPAC9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESCCOCCn1c2ccccc2c2ccnc(-c3ccccn3)c21
InChIInChI=1S/C20H19N3O/c1-2-24-14-13-23-18-9-4-3-7-15(18)16-10-12-22-19(20(16)23)17-8-5-6-11-21-17/h3-12H,2,13-14H2,1H3
InChIKeyOXSKASKARPJIKO-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.29
Rot. Bonds5

About 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (PubChem CID 141471073) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
PubChem CID141471073
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESCCOCCn1c2ccccc2c2ccnc(-c3ccccn3)c21
InChIInChI=1S/C20H19N3O/c1-2-24-14-13-23-18-9-4-3-7-15(18)16-10-12-22-19(20(16)23)17-8-5-6-11-21-17/h3-12H,2,13-14H2,1H3
InChIKeyOXSKASKARPJIKO-UHFFFAOYSA-N
XLogP4.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The IUPAC name of 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (CID 141471073) is 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.
What is the SMILES notation for 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The canonical SMILES for 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is CCOCCn1c2ccccc2c2ccnc(-c3ccccn3)c21.
What is the InChIKey of 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The InChIKey is OXSKASKARPJIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-24-14-13-23-18-9-4-3-7-15(18)16-10-12-22-19(20(16)23)17-8-5-6-11-21-17/h3-12H,2,13-14H2,1H3.
What are the key properties of 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole has a molecular weight of 317.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is sourced from PubChem (CID 141471073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).