methyl cinnoline-5-carboxylate

C10H8N2O2 — CID 133080936

IUPACmethyl cinnoline-5-carboxylate
SMILESCOC(=O)c1cccc2nnccc12
InChIInChI=1S/C10H8N2O2/c1-14-10(13)8-3-2-4-9-7(8)5-6-11-12-9/h2-6H,1H3
InChIKeyIOPPQEDFLJSXAB-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.42
Rot. Bonds1

About methyl cinnoline-5-carboxylate

methyl cinnoline-5-carboxylate (PubChem CID 133080936) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl cinnoline-5-carboxylate.

Molecular Properties

Compound Namemethyl cinnoline-5-carboxylate
PubChem CID133080936
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namemethyl cinnoline-5-carboxylate
SMILESCOC(=O)c1cccc2nnccc12
InChIInChI=1S/C10H8N2O2/c1-14-10(13)8-3-2-4-9-7(8)5-6-11-12-9/h2-6H,1H3
InChIKeyIOPPQEDFLJSXAB-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl cinnoline-8-carboxylate
CID 133080920
methyl acridine-1-carboxylate
CID 54560619
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
dimethyl quinoline-4,7-dicarboxylate
CID 100951662

Frequently Asked Questions

What is the IUPAC name of methyl cinnoline-5-carboxylate?
The IUPAC name of methyl cinnoline-5-carboxylate (CID 133080936) is methyl cinnoline-5-carboxylate.
What is the SMILES notation for methyl cinnoline-5-carboxylate?
The canonical SMILES for methyl cinnoline-5-carboxylate is COC(=O)c1cccc2nnccc12.
What is the InChIKey of methyl cinnoline-5-carboxylate?
The InChIKey is IOPPQEDFLJSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-10(13)8-3-2-4-9-7(8)5-6-11-12-9/h2-6H,1H3.
What are the key properties of methyl cinnoline-5-carboxylate?
methyl cinnoline-5-carboxylate has a molecular weight of 188.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cinnoline-5-carboxylate is sourced from PubChem (CID 133080936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).