4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid

C19H16FNO2 — CID 4240943

IUPAC4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccc(F)cc1)N2
InChIInChI=1S/C19H16FNO2/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(22)23)6-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)
InChIKeyJVLADMZUXQWDJT-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.35
Rot. Bonds2

About 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid

4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (PubChem CID 4240943) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
PubChem CID4240943
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccc(F)cc1)N2
InChIInChI=1S/C19H16FNO2/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(22)23)6-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)
InChIKeyJVLADMZUXQWDJT-UHFFFAOYSA-N
XLogP4.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.35
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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Related Compounds

1,2,3,4-Tetrahydroquinoline-6-carboxylic acid
CID 2779641
9-nitro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CID 2872805
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,8-dicarboxylic acid
CID 4039540
4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2839743
8-(ethoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2859888
6,9,9-Trimethyl-5,6,7,8,8a,9,10,10a-octahydro-4-acridinecarboxylic acid
CID 2866814
8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3243550
4-[(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoic acid
CID 14850594
4-[(4-Tert-butylphenyl)methylamino]benzoic acid
CID 18990081
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5H-phenanthridin-6-one
CID 25132505
4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 52932793
4-((2S,4R)-1-Acetyl-2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
CID 68184871

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (CID 4240943) is 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is O=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccc(F)cc1)N2.
What is the InChIKey of 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The InChIKey is JVLADMZUXQWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(22)23)6-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is sourced from PubChem (CID 4240943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).