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

C20H19NO2 — CID 2972936

IUPAC4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESCc1ccc(C2Nc3ccc(C(=O)O)cc3C3C=CCC32)cc1
InChIInChI=1S/C20H19NO2/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(20(22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H,22,23)
InChIKeyVSRZDWAATYOPFA-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.52
Rot. Bonds2

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

4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (PubChem CID 2972936) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
PubChem CID2972936
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESCc1ccc(C2Nc3ccc(C(=O)O)cc3C3C=CCC32)cc1
InChIInChI=1S/C20H19NO2/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(20(22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H,22,23)
InChIKeyVSRZDWAATYOPFA-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.52
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-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (CID 2972936) is 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is Cc1ccc(C2Nc3ccc(C(=O)O)cc3C3C=CCC32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The InChIKey is VSRZDWAATYOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(20(22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H,22,23).
What are the key properties of 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is sourced from PubChem (CID 2972936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).