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

C14H16N2O2 — CID 11413862

IUPAC8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESCNc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
InChIInChI=1S/C14H16N2O2/c1-15-8-5-6-12-11(7-8)9-3-2-4-10(9)13(16-12)14(17)18/h2-3,5-7,9-10,13,15-16H,4H2,1H3,(H,17,18)
InChIKeyZEQCQLFNPGSPEB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds2

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

8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 11413862) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID11413862
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESCNc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
InChIInChI=1S/C14H16N2O2/c1-15-8-5-6-12-11(7-8)9-3-2-4-10(9)13(16-12)14(17)18/h2-3,5-7,9-10,13,15-16H,4H2,1H3,(H,17,18)
InChIKeyZEQCQLFNPGSPEB-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 11413862) is 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is CNc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2.
What is the InChIKey of 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is ZEQCQLFNPGSPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-8-5-6-12-11(7-8)9-3-2-4-10(9)13(16-12)14(17)18/h2-3,5-7,9-10,13,15-16H,4H2,1H3,(H,17,18).
What are the key properties of 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 11413862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).