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

C19H18FN — CID 17242005

IUPAC8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1cccc(C2Nc3ccc(F)cc3C3C=CCC32)c1
InChIInChI=1S/C19H18FN/c1-12-4-2-5-13(10-12)19-16-7-3-6-15(16)17-11-14(20)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3
InChIKeyAVTUOTXGNABBPA-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.96
Rot. Bonds1

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

8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17242005) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID17242005
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1cccc(C2Nc3ccc(F)cc3C3C=CCC32)c1
InChIInChI=1S/C19H18FN/c1-12-4-2-5-13(10-12)19-16-7-3-6-15(16)17-11-14(20)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3
InChIKeyAVTUOTXGNABBPA-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.96
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-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17242005) is 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1cccc(C2Nc3ccc(F)cc3C3C=CCC32)c1.
What is the InChIKey of 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is AVTUOTXGNABBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-12-4-2-5-13(10-12)19-16-7-3-6-15(16)17-11-14(20)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3.
What are the key properties of 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 279.36 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17242005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).