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

C17H16FNS — CID 17237543

IUPAC8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccc(C2Nc3ccc(F)cc3C3C=CCC32)s1
InChIInChI=1S/C17H16FNS/c1-10-5-8-16(20-10)17-13-4-2-3-12(13)14-9-11(18)6-7-15(14)19-17/h2-3,5-9,12-13,17,19H,4H2,1H3
InChIKeyCMMLUPBRUISHHS-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.02
Rot. Bonds1

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

8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17237543) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17237543
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccc(C2Nc3ccc(F)cc3C3C=CCC32)s1
InChIInChI=1S/C17H16FNS/c1-10-5-8-16(20-10)17-13-4-2-3-12(13)14-9-11(18)6-7-15(14)19-17/h2-3,5-9,12-13,17,19H,4H2,1H3
InChIKeyCMMLUPBRUISHHS-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.02
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 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Related Compounds

7-(thiophen-2-ylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134155852
2-ethyl-N-[[5-[(2-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155525206
2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155558860
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
CID 10061927
2-[2-(Methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
CID 11776690
N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261408
N-(5-methyl-2-thienylmethyl)-2-trifluoromethylaniline
CID 12032361
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
CID 9992788
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline
CID 10401141
1-(2-Fluoro-5-thiophen-3-ylphenyl)piperazine
CID 11601356
1-(3-Fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine
CID 11637663

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17237543) is 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1ccc(C2Nc3ccc(F)cc3C3C=CCC32)s1.
What is the InChIKey of 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is CMMLUPBRUISHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-10-5-8-16(20-10)17-13-4-2-3-12(13)14-9-11(18)6-7-15(14)19-17/h2-3,5-9,12-13,17,19H,4H2,1H3.
What are the key properties of 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 285.39 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17237543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).