2-ethyl-3,8-dimethylquinoline

C13H15N — CID 15469653

IUPAC2-ethyl-3,8-dimethylquinoline
SMILESCCc1nc2c(C)cccc2cc1C
InChIInChI=1S/C13H15N/c1-4-12-10(3)8-11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3
InChIKeyJNLJEPXQNREKNR-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.41
Rot. Bonds1

About 2-ethyl-3,8-dimethylquinoline

2-ethyl-3,8-dimethylquinoline (PubChem CID 15469653) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-3,8-dimethylquinoline.

Molecular Properties

Compound Name2-ethyl-3,8-dimethylquinoline
PubChem CID15469653
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-ethyl-3,8-dimethylquinoline
SMILESCCc1nc2c(C)cccc2cc1C
InChIInChI=1S/C13H15N/c1-4-12-10(3)8-11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3
InChIKeyJNLJEPXQNREKNR-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol
CID 20714290
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
(8-methyl-2-propylquinolin-3-yl)hydrazine
CID 165468307
8-ethyl-3-methylquinolin-2-amine;hydrochloride
CID 43866070
2-(3,8-dimethylquinolin-2-yl)-2-methylpropan-1-amine
CID 84625527
N,8-dimethyl-N,3-dipropylquinolin-2-amine
CID 144663583
28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
CID 171043793
2-(8-methoxy-3-methylquinolin-2-yl)-N-methylethanamine
CID 82242809
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
4-ethyl-8-methyl-2-(8-methylquinolin-2-yl)quinoline
CID 159324536
2-(3-methyl-8-propan-2-ylquinolin-2-yl)ethanamine
CID 82242686
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
CID 7383523

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,8-dimethylquinoline?
The IUPAC name of 2-ethyl-3,8-dimethylquinoline (CID 15469653) is 2-ethyl-3,8-dimethylquinoline.
What is the SMILES notation for 2-ethyl-3,8-dimethylquinoline?
The canonical SMILES for 2-ethyl-3,8-dimethylquinoline is CCc1nc2c(C)cccc2cc1C.
What is the InChIKey of 2-ethyl-3,8-dimethylquinoline?
The InChIKey is JNLJEPXQNREKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-12-10(3)8-11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,8-dimethylquinoline?
2-ethyl-3,8-dimethylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,8-dimethylquinoline is sourced from PubChem (CID 15469653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).