ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate

C27H20N2O3 — CID 1278703

IUPACethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc3ccccc23)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C27H20N2O3/c1-2-32-27(31)21-17-25(26(30)20-12-7-10-18-9-3-4-11-19(18)20)29-23(21)14-8-15-24(29)22-13-5-6-16-28-22/h3-17H,2H2,1H3
InChIKeyZBUTVMDSUWHNJZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.56
Rot. Bonds5

About ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate

ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate (PubChem CID 1278703) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate
PubChem CID1278703
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Nameethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc3ccccc23)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C27H20N2O3/c1-2-32-27(31)21-17-25(26(30)20-12-7-10-18-9-3-4-11-19(18)20)29-23(21)14-8-15-24(29)22-13-5-6-16-28-22/h3-17H,2H2,1H3
InChIKeyZBUTVMDSUWHNJZ-UHFFFAOYSA-N
XLogP5.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[1-Naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
CID 2016258
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
Methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate
CID 72948424
Methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate
CID 72948426
Ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate
CID 72948428
2-Pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188471
2-Piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188472

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate (CID 1278703) is ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cccc3ccccc23)n2c(-c3ccccn3)cccc12.
What is the InChIKey of ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The InChIKey is ZBUTVMDSUWHNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3/c1-2-32-27(31)21-17-25(26(30)20-12-7-10-18-9-3-4-11-19(18)20)29-23(21)14-8-15-24(29)22-13-5-6-16-28-22/h3-17H,2H2,1H3.
What are the key properties of ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate?
ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(naphthalene-1-carbonyl)-5-pyridin-2-ylindolizine-1-carboxylate is sourced from PubChem (CID 1278703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).