cinnoline;ethoxyethane

C12H16N2O — CID 122673092

IUPACcinnoline;ethoxyethane
SMILESCCOCC.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.C4H10O/c1-2-4-8-7(3-1)5-6-9-10-8;1-3-5-4-2/h1-6H;3-4H2,1-2H3
InChIKeyRDSOACKAWYETRV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds2

About cinnoline;ethoxyethane

cinnoline;ethoxyethane (PubChem CID 122673092) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is cinnoline;ethoxyethane.

Molecular Properties

Compound Namecinnoline;ethoxyethane
PubChem CID122673092
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Namecinnoline;ethoxyethane
SMILESCCOCC.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.C4H10O/c1-2-4-8-7(3-1)5-6-9-10-8;1-3-5-4-2/h1-6H;3-4H2,1-2H3
InChIKeyRDSOACKAWYETRV-UHFFFAOYSA-N
XLogP2.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclodeca[c]pyridazine
CID 68549169
cinnoline;hydroiodide
CID 174664707
cinnoline;hydrochloride
CID 175461371
benzo[c]cinnoline;cinnoline
CID 70561425
cinnoline;phenol
CID 174264955
cinnoline;isoquinoline;phthalazine
CID 142014837
ethoxyethane;phenanthrene
CID 174652079
benzo[f]cinnoline;ethanol
CID 175086691
1,2-dichlorobenzene;ethoxyethane
CID 68845412
9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
3-(ethoxymethyl)pyridazine
CID 68982284
5-ethylcinnoline
CID 147224784

Frequently Asked Questions

What is the IUPAC name of cinnoline;ethoxyethane?
The IUPAC name of cinnoline;ethoxyethane (CID 122673092) is cinnoline;ethoxyethane.
What is the SMILES notation for cinnoline;ethoxyethane?
The canonical SMILES for cinnoline;ethoxyethane is CCOCC.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;ethoxyethane?
The InChIKey is RDSOACKAWYETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C4H10O/c1-2-4-8-7(3-1)5-6-9-10-8;1-3-5-4-2/h1-6H;3-4H2,1-2H3.
What are the key properties of cinnoline;ethoxyethane?
cinnoline;ethoxyethane has a molecular weight of 204.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;ethoxyethane is sourced from PubChem (CID 122673092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).