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

C24H23N3O4 — CID 122188474

IUPAC3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCCC1)c1ccccn21
InChIInChI=1S/C24H23N3O4/c28-22-16-8-6-10-25-20(16)23(29)21-19(22)18(17-9-2-5-14-27(17)21)24(30)31-15-7-13-26-11-3-1-4-12-26/h2,5-6,8-10,14H,1,3-4,7,11-13,15H2
InChIKeyDVZCMBJSRRXMRW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.14
Rot. Bonds5

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

3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 122188474) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID122188474
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCCC1)c1ccccn21
InChIInChI=1S/C24H23N3O4/c28-22-16-8-6-10-25-20(16)23(29)21-19(22)18(17-9-2-5-14-27(17)21)24(30)31-15-7-13-26-11-3-1-4-12-26/h2,5-6,8-10,14H,1,3-4,7,11-13,15H2
InChIKeyDVZCMBJSRRXMRW-UHFFFAOYSA-N
XLogP3.14
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 122188474) is 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCCC1)c1ccccn21.
What is the InChIKey of 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is DVZCMBJSRRXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22-16-8-6-10-25-20(16)23(29)21-19(22)18(17-9-2-5-14-27(17)21)24(30)31-15-7-13-26-11-3-1-4-12-26/h2,5-6,8-10,14H,1,3-4,7,11-13,15H2.
What are the key properties of 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 122188474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).