ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate

C28H20N2O4 — CID 71624756

IUPACethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(=O)c3ccncc3)cc12
InChIInChI=1S/C28H20N2O4/c1-2-34-28(33)23-17-25(27(32)21-8-7-18-5-3-4-6-20(18)15-21)30-14-11-22(16-24(23)30)26(31)19-9-12-29-13-10-19/h3-17H,2H2,1H3
InChIKeyCFDGNQMYMFCUKU-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.13
Rot. Bonds6

About ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate

ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate (PubChem CID 71624756) has the molecular formula C28H20N2O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate
PubChem CID71624756
Molecular FormulaC28H20N2O4
Molecular Weight448.48 g/mol
Exact Mass448.14
IUPAC Nameethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(=O)c3ccncc3)cc12
InChIInChI=1S/C28H20N2O4/c1-2-34-28(33)23-17-25(27(32)21-8-7-18-5-3-4-6-20(18)15-21)30-14-11-22(16-24(23)30)26(31)19-9-12-29-13-10-19/h3-17H,2H2,1H3
InChIKeyCFDGNQMYMFCUKU-UHFFFAOYSA-N
XLogP5.13
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate (CID 71624756) is ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(=O)c3ccncc3)cc12.
What is the InChIKey of ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate?
The InChIKey is CFDGNQMYMFCUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4/c1-2-34-28(33)23-17-25(27(32)21-8-7-18-5-3-4-6-20(18)15-21)30-14-11-22(16-24(23)30)26(31)19-9-12-29-13-10-19/h3-17H,2H2,1H3.
What are the key properties of ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate?
ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(naphthalene-2-carbonyl)-7-(pyridine-4-carbonyl)indolizine-1-carboxylate is sourced from PubChem (CID 71624756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).