5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H28N2 — CID 58147048

IUPAC5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C23H28N2/c1-4-18-6-8-19(9-7-18)11-14-25-22-10-5-17(2)15-20(22)21-16-24(3)13-12-23(21)25/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyIKNYPRVKMYOFRT-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.74
Rot. Bonds4

About 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 58147048) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID58147048
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C23H28N2/c1-4-18-6-8-19(9-7-18)11-14-25-22-10-5-17(2)15-20(22)21-16-24(3)13-12-23(21)25/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyIKNYPRVKMYOFRT-UHFFFAOYSA-N
XLogP4.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 58147048) is 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IKNYPRVKMYOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-4-18-6-8-19(9-7-18)11-14-25-22-10-5-17(2)15-20(22)21-16-24(3)13-12-23(21)25/h5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 332.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 58147048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).