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

C20H23NO4 — CID 3243550

IUPAC8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
InChIInChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23)
InChIKeyICOHVCVFOZOLOK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.71
Rot. Bonds3

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

8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 3243550) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID3243550
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
InChIInChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23)
InChIKeyICOHVCVFOZOLOK-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 3243550) is 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is O=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2.
What is the InChIKey of 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is ICOHVCVFOZOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(23)18-15-8-4-7-14(15)16-11-12(9-10-17(16)21-18)20(24)25-13-5-2-1-3-6-13/h4,7,9-11,13-15,18,21H,1-3,5-6,8H2,(H,22,23).
What are the key properties of 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyloxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 3243550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).