4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C16H13ClFNS — CID 71721897

IUPAC4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)s1)N2
InChIInChI=1S/C16H13ClFNS/c17-15-7-6-14(20-15)16-11-3-1-2-10(11)12-8-9(18)4-5-13(12)19-16/h1-2,4-8,10-11,16,19H,3H2
InChIKeyPLWXDSONCGGPFV-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.37
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 71721897) has the molecular formula C16H13ClFNS and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID71721897
Molecular FormulaC16H13ClFNS
Molecular Weight305.81 g/mol
Exact Mass305.04
IUPAC Name4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)s1)N2
InChIInChI=1S/C16H13ClFNS/c17-15-7-6-14(20-15)16-11-3-1-2-10(11)12-8-9(18)4-5-13(12)19-16/h1-2,4-8,10-11,16,19H,3H2
InChIKeyPLWXDSONCGGPFV-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
CID 71115938
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17237543
8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721899
(3aS,4R,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721942
2-(3-Chloro-4-fluoroanilino)-2-(4-phenylthiophen-2-yl)acetonitrile
CID 86280714
(3aS,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 139420722
(2S)-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 164667992
5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
CID 3510064
2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3566032
2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
CID 3962127
2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3985256

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 71721897) is 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Fc1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)s1)N2.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is PLWXDSONCGGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNS/c17-15-7-6-14(20-15)16-11-3-1-2-10(11)12-8-9(18)4-5-13(12)19-16/h1-2,4-8,10-11,16,19H,3H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 305.81 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 71721897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).