methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate

C20H19NO6 — CID 71826098

IUPACmethyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)OC)c2ccc3ncccc3c2)o1
InChIInChI=1S/C20H19NO6/c1-25-11-14-9-17(22)19(24)20(27-14)15(10-18(23)26-2)12-5-6-16-13(8-12)4-3-7-21-16/h3-9,15,24H,10-11H2,1-2H3
InChIKeyPZRNVCISLADYHC-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.73
Rot. Bonds6

About methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate

methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate (PubChem CID 71826098) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
PubChem CID71826098
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namemethyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)OC)c2ccc3ncccc3c2)o1
InChIInChI=1S/C20H19NO6/c1-25-11-14-9-17(22)19(24)20(27-14)15(10-18(23)26-2)12-5-6-16-13(8-12)4-3-7-21-16/h3-9,15,24H,10-11H2,1-2H3
InChIKeyPZRNVCISLADYHC-UHFFFAOYSA-N
XLogP2.73
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate?
The IUPAC name of methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate (CID 71826098) is methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate.
What is the SMILES notation for methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate?
The canonical SMILES for methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate is COCc1cc(=O)c(O)c(C(CC(=O)OC)c2ccc3ncccc3c2)o1.
What is the InChIKey of methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate?
The InChIKey is PZRNVCISLADYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-11-14-9-17(22)19(24)20(27-14)15(10-18(23)26-2)12-5-6-16-13(8-12)4-3-7-21-16/h3-9,15,24H,10-11H2,1-2H3.
What are the key properties of methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate?
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate has a molecular weight of 369.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate is sourced from PubChem (CID 71826098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).