4-ethylcinnoline

C10H10N2 — CID 54530021

IUPAC4-ethylcinnoline
SMILESCCc1cnnc2ccccc12
InChIInChI=1S/C10H10N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3
InChIKeyLLWKPRXVZVGIGR-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.19
Rot. Bonds1

About 4-ethylcinnoline

4-ethylcinnoline (PubChem CID 54530021) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-ethylcinnoline.

Molecular Properties

Compound Name4-ethylcinnoline
PubChem CID54530021
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-ethylcinnoline
SMILESCCc1cnnc2ccccc12
InChIInChI=1S/C10H10N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3
InChIKeyLLWKPRXVZVGIGR-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)cinnoline
CID 130295977
2-cinnolin-4-ylacetaldehyde
CID 83874132
4-ethylpyrido[3,4-c]pyridazine
CID 156710783
1-cinnolin-4-yl-N-ethylpropan-2-amine
CID 63586050
5-ethylcinnoline
CID 147224784
2-cinnolin-4-yl-N'-hydroxyethanimidamide
CID 83881146
N-methylcinnolin-4-amine
CID 6412705
4-methylsulfanylsulfinylcinnoline
CID 135060043
cinnolin-4-amine;hydrochloride
CID 171504338
1-cinnolin-4-yl-3-methoxy-N-propylpropan-2-amine
CID 63587341
2-cinnolin-4-yl-1-cyclopropylethanol
CID 63587148
4-(piperazin-1-ylmethyl)cinnoline
CID 83893270

Frequently Asked Questions

What is the IUPAC name of 4-ethylcinnoline?
The IUPAC name of 4-ethylcinnoline (CID 54530021) is 4-ethylcinnoline.
What is the SMILES notation for 4-ethylcinnoline?
The canonical SMILES for 4-ethylcinnoline is CCc1cnnc2ccccc12.
What is the InChIKey of 4-ethylcinnoline?
The InChIKey is LLWKPRXVZVGIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3.
What are the key properties of 4-ethylcinnoline?
4-ethylcinnoline has a molecular weight of 158.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcinnoline is sourced from PubChem (CID 54530021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).