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

C19H18N2O2 — CID 11370217

IUPAC8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2ccc(Nc3ccccc3)cc2C2C=CCC12
InChIInChI=1S/C19H18N2O2/c22-19(23)18-15-8-4-7-14(15)16-11-13(9-10-17(16)21-18)20-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20-21H,8H2,(H,22,23)
InChIKeyOTELFGPWPZSOFN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.97
Rot. Bonds3

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

8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 11370217) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID11370217
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2ccc(Nc3ccccc3)cc2C2C=CCC12
InChIInChI=1S/C19H18N2O2/c22-19(23)18-15-8-4-7-14(15)16-11-13(9-10-17(16)21-18)20-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20-21H,8H2,(H,22,23)
InChIKeyOTELFGPWPZSOFN-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 11370217) is 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is O=C(O)C1Nc2ccc(Nc3ccccc3)cc2C2C=CCC12.
What is the InChIKey of 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is OTELFGPWPZSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(23)18-15-8-4-7-14(15)16-11-13(9-10-17(16)21-18)20-12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20-21H,8H2,(H,22,23).
What are the key properties of 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 11370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).