methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate

C11H7Cl2NO4 — CID 54729564

IUPACmethyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)c(O)c(Cl)c(=O)n2c1
InChIInChI=1S/C11H7Cl2NO4/c1-18-11(17)5-2-3-6-7(12)9(15)8(13)10(16)14(6)4-5/h2-4,15H,1H3
InChIKeyJVPYWPXOEKQOSH-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.10
Rot. Bonds1

About methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate

methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate (PubChem CID 54729564) has the molecular formula C11H7Cl2NO4 and a molecular weight of 288.09 g/mol. Its IUPAC name is methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
PubChem CID54729564
Molecular FormulaC11H7Cl2NO4
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Namemethyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)c(O)c(Cl)c(=O)n2c1
InChIInChI=1S/C11H7Cl2NO4/c1-18-11(17)5-2-3-6-7(12)9(15)8(13)10(16)14(6)4-5/h2-4,15H,1H3
InChIKeyJVPYWPXOEKQOSH-UHFFFAOYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
sodium 4-methoxycarbonylbenzenethiolate
CID 102377874
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
CID 117251063
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 166128420
methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate
CID 166128381
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703
methyl 4-[4-hydroxy-5-(4-methoxycarbonylphenyl)-1-methyl-6-oxo-3-pyridinyl]benzoate
CID 54751202

Frequently Asked Questions

What is the IUPAC name of methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate?
The IUPAC name of methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate (CID 54729564) is methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate.
What is the SMILES notation for methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate?
The canonical SMILES for methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate is COC(=O)c1ccc2c(Cl)c(O)c(Cl)c(=O)n2c1.
What is the InChIKey of methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate?
The InChIKey is JVPYWPXOEKQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4/c1-18-11(17)5-2-3-6-7(12)9(15)8(13)10(16)14(6)4-5/h2-4,15H,1H3.
What are the key properties of methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate?
methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate has a molecular weight of 288.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 54729564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).