8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C18H16ClN — CID 3115072

IUPAC8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESClc1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2
InChIInChI=1S/C18H16ClN/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2
InChIKeyRZBJBIDHOBSXEP-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.17
Rot. Bonds1

About 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 3115072) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID3115072
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESClc1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2
InChIInChI=1S/C18H16ClN/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2
InChIKeyRZBJBIDHOBSXEP-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.17
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-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 3115072) is 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Clc1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2.
What is the InChIKey of 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is RZBJBIDHOBSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2.
What are the key properties of 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 281.79 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 3115072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).