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

C19H17NO3 — CID 3418288

IUPAC8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2ccc(Oc3ccccc3)cc2C2C=CCC12
InChIInChI=1S/C19H17NO3/c21-19(22)18-15-8-4-7-14(15)16-11-13(9-10-17(16)20-18)23-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)
InChIKeyJHGJAWDFYUSZLM-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.02
Rot. Bonds3

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

8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 3418288) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID3418288
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2ccc(Oc3ccccc3)cc2C2C=CCC12
InChIInChI=1S/C19H17NO3/c21-19(22)18-15-8-4-7-14(15)16-11-13(9-10-17(16)20-18)23-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)
InChIKeyJHGJAWDFYUSZLM-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 3418288) is 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is O=C(O)C1Nc2ccc(Oc3ccccc3)cc2C2C=CCC12.
What is the InChIKey of 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is JHGJAWDFYUSZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(22)18-15-8-4-7-14(15)16-11-13(9-10-17(16)20-18)23-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22).
What are the key properties of 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 3418288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).