3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

C23H21N3O5 — CID 122188475

IUPAC3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H21N3O5/c27-21-15-5-3-7-24-19(15)22(28)20-18(21)17(16-6-1-2-9-26(16)20)23(29)31-12-4-8-25-10-13-30-14-11-25/h1-3,5-7,9H,4,8,10-14H2
InChIKeyCMEJZBGTPMODEK-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.99
Rot. Bonds5

About 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate

3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 122188475) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID122188475
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H21N3O5/c27-21-15-5-3-7-24-19(15)22(28)20-18(21)17(16-6-1-2-9-26(16)20)23(29)31-12-4-8-25-10-13-30-14-11-25/h1-3,5-7,9H,4,8,10-14H2
InChIKeyCMEJZBGTPMODEK-UHFFFAOYSA-N
XLogP1.99
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-ylpropyl 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 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 122188475) is 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21.
What is the InChIKey of 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is CMEJZBGTPMODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-21-15-5-3-7-24-19(15)22(28)20-18(21)17(16-6-1-2-9-26(16)20)23(29)31-12-4-8-25-10-13-30-14-11-25/h1-3,5-7,9H,4,8,10-14H2.
What are the key properties of 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 419.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 122188475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).