methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate

C18H15N3O5 — CID 50984282

IUPACmethyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2CC(=O)Nc3cc4oc(=O)n(C)c4cc32)n1
InChIInChI=1S/C18H15N3O5/c1-21-14-6-9-10(11-4-3-5-12(19-11)17(23)25-2)7-16(22)20-13(9)8-15(14)26-18(21)24/h3-6,8,10H,7H2,1-2H3,(H,20,22)
InChIKeyXOBIFLYFJIKKJD-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.79
Rot. Bonds2

About methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate

methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate (PubChem CID 50984282) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
PubChem CID50984282
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Namemethyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2CC(=O)Nc3cc4oc(=O)n(C)c4cc32)n1
InChIInChI=1S/C18H15N3O5/c1-21-14-6-9-10(11-4-3-5-12(19-11)17(23)25-2)7-16(22)20-13(9)8-15(14)26-18(21)24/h3-6,8,10H,7H2,1-2H3,(H,20,22)
InChIKeyXOBIFLYFJIKKJD-UHFFFAOYSA-N
XLogP1.79
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate (CID 50984282) is methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate is COC(=O)c1cccc(C2CC(=O)Nc3cc4oc(=O)n(C)c4cc32)n1.
What is the InChIKey of methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate?
The InChIKey is XOBIFLYFJIKKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-21-14-6-9-10(11-4-3-5-12(19-11)17(23)25-2)7-16(22)20-13(9)8-15(14)26-18(21)24/h3-6,8,10H,7H2,1-2H3,(H,20,22).
What are the key properties of methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate?
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate is sourced from PubChem (CID 50984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).