ethyl 2-cinnolin-3-ylacetate

C12H12N2O2 — CID 150533502

IUPACethyl 2-cinnolin-3-ylacetate
SMILESCCOC(=O)Cc1cc2ccccc2nn1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)8-10-7-9-5-3-4-6-11(9)14-13-10/h3-7H,2,8H2,1H3
InChIKeyIEIQHXBKUAIMHN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-cinnolin-3-ylacetate

ethyl 2-cinnolin-3-ylacetate (PubChem CID 150533502) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 2-cinnolin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-cinnolin-3-ylacetate
PubChem CID150533502
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 2-cinnolin-3-ylacetate
SMILESCCOC(=O)Cc1cc2ccccc2nn1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)8-10-7-9-5-3-4-6-11(9)14-13-10/h3-7H,2,8H2,1H3
InChIKeyIEIQHXBKUAIMHN-UHFFFAOYSA-N
XLogP1.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
CID 164570671
CID 164570671
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
propyl cinnoline-3-carboxylate
CID 142670982
ethyl 4-(3-hydroxyquinolin-2-yl)-4-oxobutanoate
CID 167491857
3-(fluoromethyl)cinnoline
CID 141154646
ethyl 2-phenylacetate
CID 7590
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
anthracene;ethyl carbamate
CID 174381530
ethyl 2-pyrazolo[1,5-a]pyridin-2-ylacetate
CID 86117468
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cinnolin-3-ylacetate?
The IUPAC name of ethyl 2-cinnolin-3-ylacetate (CID 150533502) is ethyl 2-cinnolin-3-ylacetate.
What is the SMILES notation for ethyl 2-cinnolin-3-ylacetate?
The canonical SMILES for ethyl 2-cinnolin-3-ylacetate is CCOC(=O)Cc1cc2ccccc2nn1.
What is the InChIKey of ethyl 2-cinnolin-3-ylacetate?
The InChIKey is IEIQHXBKUAIMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)8-10-7-9-5-3-4-6-11(9)14-13-10/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-cinnolin-3-ylacetate?
ethyl 2-cinnolin-3-ylacetate has a molecular weight of 216.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cinnolin-3-ylacetate is sourced from PubChem (CID 150533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).