4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid

C20H18FNO2 — CID 3273211

IUPAC4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1NC(c1ccc(F)cc1)C1CC=CC21
InChIInChI=1S/C20H18FNO2/c1-11-14(20(23)24)9-10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(21)8-6-12/h2-3,5-10,15-16,19,22H,4H2,1H3,(H,23,24)
InChIKeyQQFIKDKDKKJVEU-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.66
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid

4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid (PubChem CID 3273211) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
PubChem CID3273211
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1NC(c1ccc(F)cc1)C1CC=CC21
InChIInChI=1S/C20H18FNO2/c1-11-14(20(23)24)9-10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(21)8-6-12/h2-3,5-10,15-16,19,22H,4H2,1H3,(H,23,24)
InChIKeyQQFIKDKDKKJVEU-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid (CID 3273211) is 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid is Cc1c(C(=O)O)ccc2c1NC(c1ccc(F)cc1)C1CC=CC21.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid?
The InChIKey is QQFIKDKDKKJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-11-14(20(23)24)9-10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(21)8-6-12/h2-3,5-10,15-16,19,22H,4H2,1H3,(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid?
4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid is sourced from PubChem (CID 3273211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).