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

C16H19NO2 — CID 2839743

IUPAC4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESCCCC1Nc2ccc(C(=O)O)cc2C2C=CCC12
InChIInChI=1S/C16H19NO2/c1-2-4-14-12-6-3-5-11(12)13-9-10(16(18)19)7-8-15(13)17-14/h3,5,7-9,11-12,14,17H,2,4,6H2,1H3,(H,18,19)
InChIKeyXFIGYHUNCNSWNJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.64
Rot. Bonds3

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

4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (PubChem CID 2839743) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
PubChem CID2839743
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SMILESCCCC1Nc2ccc(C(=O)O)cc2C2C=CCC12
InChIInChI=1S/C16H19NO2/c1-2-4-14-12-6-3-5-11(12)13-9-10(16(18)19)7-8-15(13)17-14/h3,5,7-9,11-12,14,17H,2,4,6H2,1H3,(H,18,19)
InChIKeyXFIGYHUNCNSWNJ-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.64
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-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The IUPAC name of 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (CID 2839743) is 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The canonical SMILES for 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is CCCC1Nc2ccc(C(=O)O)cc2C2C=CCC12.
What is the InChIKey of 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
The InChIKey is XFIGYHUNCNSWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-4-14-12-6-3-5-11(12)13-9-10(16(18)19)7-8-15(13)17-14/h3,5,7-9,11-12,14,17H,2,4,6H2,1H3,(H,18,19).
What are the key properties of 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid?
4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid is sourced from PubChem (CID 2839743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).