methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate

C11H9NO4 — CID 21364181

IUPACmethyl 7-hydroxy-4-oxoquinolizine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2cc(O)ccc2c1
InChIInChI=1S/C11H9NO4/c1-16-11(15)7-4-8-2-3-9(13)6-12(8)10(14)5-7/h2-6,13H,1H3
InChIKeyYIDXGNSNPWZRTD-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.79
Rot. Bonds1

About methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate

methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate (PubChem CID 21364181) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-4-oxoquinolizine-2-carboxylate
PubChem CID21364181
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Namemethyl 7-hydroxy-4-oxoquinolizine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2cc(O)ccc2c1
InChIInChI=1S/C11H9NO4/c1-16-11(15)7-4-8-2-3-9(13)6-12(8)10(14)5-7/h2-6,13H,1H3
InChIKeyYIDXGNSNPWZRTD-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate?
The IUPAC name of methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate (CID 21364181) is methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate?
The canonical SMILES for methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate is COC(=O)c1cc(=O)n2cc(O)ccc2c1.
What is the InChIKey of methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate?
The InChIKey is YIDXGNSNPWZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-11(15)7-4-8-2-3-9(13)6-12(8)10(14)5-7/h2-6,13H,1H3.
What are the key properties of methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate?
methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-4-oxoquinolizine-2-carboxylate is sourced from PubChem (CID 21364181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).