ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate

C19H17NO5 — CID 102058257

IUPACethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(OC)cc2)c(=O)n2ccccc12
InChIInChI=1S/C19H17NO5/c1-3-25-19(23)16-14-6-4-5-11-20(14)18(22)15(17(16)21)12-7-9-13(24-2)10-8-12/h4-11,21H,3H2,1-2H3
InChIKeyMYHOZURHCXOKKF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.86
Rot. Bonds4

About ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate

ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate (PubChem CID 102058257) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
PubChem CID102058257
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(OC)cc2)c(=O)n2ccccc12
InChIInChI=1S/C19H17NO5/c1-3-25-19(23)16-14-6-4-5-11-20(14)18(22)15(17(16)21)12-7-9-13(24-2)10-8-12/h4-11,21H,3H2,1-2H3
InChIKeyMYHOZURHCXOKKF-UHFFFAOYSA-N
XLogP2.86
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate (CID 102058257) is ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(O)c(-c2ccc(OC)cc2)c(=O)n2ccccc12.
What is the InChIKey of ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The InChIKey is MYHOZURHCXOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-25-19(23)16-14-6-4-5-11-20(14)18(22)15(17(16)21)12-7-9-13(24-2)10-8-12/h4-11,21H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 102058257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).