6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

C18H20N2O4 — CID 2872045

IUPAC6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2c(C(=O)N3CCOCC3)cccc2C2C=CCC12
InChIInChI=1S/C18H20N2O4/c21-17(20-7-9-24-10-8-20)14-6-2-4-12-11-3-1-5-13(11)16(18(22)23)19-15(12)14/h1-4,6,11,13,16,19H,5,7-10H2,(H,22,23)
InChIKeyBAFWMUGYCDOMKF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.70
Rot. Bonds2

About 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 2872045) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID2872045
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2c(C(=O)N3CCOCC3)cccc2C2C=CCC12
InChIInChI=1S/C18H20N2O4/c21-17(20-7-9-24-10-8-20)14-6-2-4-12-11-3-1-5-13(11)16(18(22)23)19-15(12)14/h1-4,6,11,13,16,19H,5,7-10H2,(H,22,23)
InChIKeyBAFWMUGYCDOMKF-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.70
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 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 2872045) is 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is O=C(O)C1Nc2c(C(=O)N3CCOCC3)cccc2C2C=CCC12.
What is the InChIKey of 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is BAFWMUGYCDOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(20-7-9-24-10-8-20)14-6-2-4-12-11-3-1-5-13(11)16(18(22)23)19-15(12)14/h1-4,6,11,13,16,19H,5,7-10H2,(H,22,23).
What are the key properties of 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 2872045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).