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

C23H15N3O4 — CID 122188471

IUPAC2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCc1ccccn1)c1ccccn21
InChIInChI=1S/C23H15N3O4/c27-21-15-7-5-11-25-19(15)22(28)20-18(21)17(16-8-2-4-12-26(16)20)23(29)30-13-9-14-6-1-3-10-24-14/h1-8,10-12H,9,13H2
InChIKeyXHSLXZCUAQQCEJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.90
Rot. Bonds4

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

2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (PubChem CID 122188471) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
PubChem CID122188471
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)OCCc1ccccn1)c1ccccn21
InChIInChI=1S/C23H15N3O4/c27-21-15-7-5-11-25-19(15)22(28)20-18(21)17(16-8-2-4-12-26(16)20)23(29)30-13-9-14-6-1-3-10-24-14/h1-8,10-12H,9,13H2
InChIKeyXHSLXZCUAQQCEJ-UHFFFAOYSA-N
XLogP2.90
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 14900032
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
6,11-Dioxonaphtho[2,3-b]indolizine-12-carboxylic acid
CID 261602
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
2-Piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188472
2-Morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188473
3-Piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188474
3-Morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188475
Ethyl 3-acetyl-1-indolizinecarboxylate
CID 838368

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate (CID 122188471) is 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCc1ccccn1)c1ccccn21.
What is the InChIKey of 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
The InChIKey is XHSLXZCUAQQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c27-21-15-7-5-11-25-19(15)22(28)20-18(21)17(16-8-2-4-12-26(16)20)23(29)30-13-9-14-6-1-3-10-24-14/h1-8,10-12H,9,13H2.
What are the key properties of 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate?
2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate is sourced from PubChem (CID 122188471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).