5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline

C24H20BrN — CID 67039880

IUPAC5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline
SMILESCC1=C(CCC2=Cc3ccccc3C2)C2=Cc3ncccc3C(Br)C2=C1
InChIInChI=1S/C24H20BrN/c1-15-11-22-21(14-23-20(24(22)25)7-4-10-26-23)19(15)9-8-16-12-17-5-2-3-6-18(17)13-16/h2-7,10-12,14,24H,8-9,13H2,1H3
InChIKeyISASWEDYBBJYEH-UHFFFAOYSA-N
MW402.34 g/mol
LogP6.59
Rot. Bonds3

About 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline

5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline (PubChem CID 67039880) has the molecular formula C24H20BrN and a molecular weight of 402.34 g/mol. Its IUPAC name is 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline
PubChem CID67039880
Molecular FormulaC24H20BrN
Molecular Weight402.34 g/mol
Exact Mass401.08
IUPAC Name5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline
SMILESCC1=C(CCC2=Cc3ccccc3C2)C2=Cc3ncccc3C(Br)C2=C1
InChIInChI=1S/C24H20BrN/c1-15-11-22-21(14-23-20(24(22)25)7-4-10-26-23)19(15)9-8-16-12-17-5-2-3-6-18(17)13-16/h2-7,10-12,14,24H,8-9,13H2,1H3
InChIKeyISASWEDYBBJYEH-UHFFFAOYSA-N
XLogP6.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.34
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline?
The IUPAC name of 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline (CID 67039880) is 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline.
What is the SMILES notation for 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline?
The canonical SMILES for 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline is CC1=C(CCC2=Cc3ccccc3C2)C2=Cc3ncccc3C(Br)C2=C1.
What is the InChIKey of 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline?
The InChIKey is ISASWEDYBBJYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN/c1-15-11-22-21(14-23-20(24(22)25)7-4-10-26-23)19(15)9-8-16-12-17-5-2-3-6-18(17)13-16/h2-7,10-12,14,24H,8-9,13H2,1H3.
What are the key properties of 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline?
5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline has a molecular weight of 402.34 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[2-(1H-inden-2-yl)ethyl]-7-methyl-5H-cyclopenta[g]quinoline is sourced from PubChem (CID 67039880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).