ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate

C18H18N2O4 — CID 67068219

IUPACethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3
InChIKeyJAOAZKXXMABFRU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.68
Rot. Bonds5

About ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate

ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate (PubChem CID 67068219) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
PubChem CID67068219
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3
InChIKeyJAOAZKXXMABFRU-UHFFFAOYSA-N
XLogP2.68
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate (CID 67068219) is ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate is CCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1.
What is the InChIKey of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The InChIKey is JAOAZKXXMABFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3.
What are the key properties of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate is sourced from PubChem (CID 67068219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).