ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate

C23H18N2O3 — CID 3467029

IUPACethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccncc3)cc12
InChIInChI=1S/C23H18N2O3/c1-2-28-23(27)19-15-21(22(26)17-6-4-3-5-7-17)25-13-10-18(14-20(19)25)16-8-11-24-12-9-16/h3-15H,2H2,1H3
InChIKeyARZDGSYUSJVMCI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.41
Rot. Bonds5

About ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate

ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate (PubChem CID 3467029) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate
PubChem CID3467029
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Nameethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccncc3)cc12
InChIInChI=1S/C23H18N2O3/c1-2-28-23(27)19-15-21(22(26)17-6-4-3-5-7-17)25-13-10-18(14-20(19)25)16-8-11-24-12-9-16/h3-15H,2H2,1H3
InChIKeyARZDGSYUSJVMCI-UHFFFAOYSA-N
XLogP4.41
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
methyl 1-(4-fluorobenzyl)-1H-indole-3-carboxylate
CID 951976
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 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate
CID 72948428

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate (CID 3467029) is ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccncc3)cc12.
What is the InChIKey of ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate?
The InChIKey is ARZDGSYUSJVMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-2-28-23(27)19-15-21(22(26)17-6-4-3-5-7-17)25-13-10-18(14-20(19)25)16-8-11-24-12-9-16/h3-15H,2H2,1H3.
What are the key properties of ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate?
ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-7-pyridin-4-ylindolizine-1-carboxylate is sourced from PubChem (CID 3467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).