8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C18H15BrFN — CID 3112184

IUPAC8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc(C2Nc3ccc(Br)cc3C3C=CCC32)cc1
InChIInChI=1S/C18H15BrFN/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(21-17)11-4-7-13(20)8-5-11/h1-2,4-10,14-15,18,21H,3H2
InChIKeyVSARUIOGNCPGGS-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.41
Rot. Bonds1

About 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 3112184) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID3112184
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc(C2Nc3ccc(Br)cc3C3C=CCC32)cc1
InChIInChI=1S/C18H15BrFN/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(21-17)11-4-7-13(20)8-5-11/h1-2,4-10,14-15,18,21H,3H2
InChIKeyVSARUIOGNCPGGS-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 3112184) is 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Fc1ccc(C2Nc3ccc(Br)cc3C3C=CCC32)cc1.
What is the InChIKey of 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is VSARUIOGNCPGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(21-17)11-4-7-13(20)8-5-11/h1-2,4-10,14-15,18,21H,3H2.
What are the key properties of 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 344.23 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 3112184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).