7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

C15H17NO2 — CID 3125599

IUPAC7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)NC(C(=O)O)C1CC=CC21
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)13-10-4-3-5-11(10)14(15(17)18)16-12(13)7-8/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
InChIKeyOGVRZBLIJMLYFQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.84
Rot. Bonds1

About 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 3125599) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID3125599
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)NC(C(=O)O)C1CC=CC21
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)13-10-4-3-5-11(10)14(15(17)18)16-12(13)7-8/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
InChIKeyOGVRZBLIJMLYFQ-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.84
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 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 3125599) is 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is Cc1cc(C)c2c(c1)NC(C(=O)O)C1CC=CC21.
What is the InChIKey of 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is OGVRZBLIJMLYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-6-9(2)13-10-4-3-5-11(10)14(15(17)18)16-12(13)7-8/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18).
What are the key properties of 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 3125599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).