2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

C23H21N3O4 — CID 122188472

IUPAC2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccccn21
InChIInChI=1S/C23H21N3O4/c27-21-15-7-6-9-24-19(15)22(28)20-18(21)17(16-8-2-5-12-26(16)20)23(29)30-14-13-25-10-3-1-4-11-25/h2,5-9,12H,1,3-4,10-11,13-14H2
InChIKeyOATANYSNZPXVHP-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.75
Rot. Bonds4

About 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 122188472) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID122188472
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccccn21
InChIInChI=1S/C23H21N3O4/c27-21-15-7-6-9-24-19(15)22(28)20-18(21)17(16-8-2-5-12-26(16)20)23(29)30-14-13-25-10-3-1-4-11-25/h2,5-9,12H,1,3-4,10-11,13-14H2
InChIKeyOATANYSNZPXVHP-UHFFFAOYSA-N
XLogP2.75
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 122188472) is 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccccn21.
What is the InChIKey of 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is OATANYSNZPXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-21-15-7-6-9-24-19(15)22(28)20-18(21)17(16-8-2-5-12-26(16)20)23(29)30-14-13-25-10-3-1-4-11-25/h2,5-9,12H,1,3-4,10-11,13-14H2.
What are the key properties of 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 122188472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).