6-chloro-3,4-diethylcinnoline

C12H13ClN2 — CID 102493211

IUPAC6-chloro-3,4-diethylcinnoline
SMILESCCc1nnc2ccc(Cl)cc2c1CC
InChIInChI=1S/C12H13ClN2/c1-3-9-10-7-8(13)5-6-12(10)15-14-11(9)4-2/h5-7H,3-4H2,1-2H3
InChIKeyGEZGJNCYDRKZKO-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.41
Rot. Bonds2

About 6-chloro-3,4-diethylcinnoline

6-chloro-3,4-diethylcinnoline (PubChem CID 102493211) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 6-chloro-3,4-diethylcinnoline.

Molecular Properties

Compound Name6-chloro-3,4-diethylcinnoline
PubChem CID102493211
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name6-chloro-3,4-diethylcinnoline
SMILESCCc1nnc2ccc(Cl)cc2c1CC
InChIInChI=1S/C12H13ClN2/c1-3-9-10-7-8(13)5-6-12(10)15-14-11(9)4-2/h5-7H,3-4H2,1-2H3
InChIKeyGEZGJNCYDRKZKO-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
CID 125451461
7-chloro-2,3-diethylquinolin-4-amine;methanethiol
CID 142986409
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
(7-chloro-2,3-diethylquinolin-4-yl)hydrazine
CID 156874809
3-(4-chloro-2-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508584
3,5-dichloro-2-ethylindazole
CID 84723698
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
5-chloro-3-ethyl-1-propylindazole
CID 123245201
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
3-bromo-5-chloro-2-ethylindazole
CID 84729523

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-diethylcinnoline?
The IUPAC name of 6-chloro-3,4-diethylcinnoline (CID 102493211) is 6-chloro-3,4-diethylcinnoline.
What is the SMILES notation for 6-chloro-3,4-diethylcinnoline?
The canonical SMILES for 6-chloro-3,4-diethylcinnoline is CCc1nnc2ccc(Cl)cc2c1CC.
What is the InChIKey of 6-chloro-3,4-diethylcinnoline?
The InChIKey is GEZGJNCYDRKZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-9-10-7-8(13)5-6-12(10)15-14-11(9)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3,4-diethylcinnoline?
6-chloro-3,4-diethylcinnoline has a molecular weight of 220.70 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-diethylcinnoline is sourced from PubChem (CID 102493211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).