6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

C17H20N2O3 — CID 16654893

IUPAC6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12
InChIInChI=1S/C17H20N2O3/c20-17(21)16-13-4-1-3-11(13)12-5-2-6-14(15(12)18-16)19-7-9-22-10-8-19/h1-3,5-6,11,13,16,18H,4,7-10H2,(H,20,21)
InChIKeyBUBNBCQHMMYXBQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds2

About 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (PubChem CID 16654893) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
PubChem CID16654893
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILESO=C(O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12
InChIInChI=1S/C17H20N2O3/c20-17(21)16-13-4-1-3-11(13)12-5-2-6-14(15(12)18-16)19-7-9-22-10-8-19/h1-3,5-6,11,13,16,18H,4,7-10H2,(H,20,21)
InChIKeyBUBNBCQHMMYXBQ-UHFFFAOYSA-N
XLogP2.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
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-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CID 16654893) is 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is O=C(O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12.
What is the InChIKey of 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
The InChIKey is BUBNBCQHMMYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(21)16-13-4-1-3-11(13)12-5-2-6-14(15(12)18-16)19-7-9-22-10-8-19/h1-3,5-6,11,13,16,18H,4,7-10H2,(H,20,21).
What are the key properties of 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?
6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is sourced from PubChem (CID 16654893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).