2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide

C13H17IN2 — CID 45488433

IUPAC2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide
SMILESI.[H]/N=c1\c(C)c(CC)n(C)c2ccccc12
InChIInChI=1S/C13H16N2.HI/c1-4-11-9(2)13(14)10-7-5-6-8-12(10)15(11)3;/h5-8,14H,4H2,1-3H3;1H/b14-13+;
InChIKeyQLBHRFZAHMGRHU-IERUDJENSA-N
MW328.20 g/mol
LogP3.15
Rot. Bonds1

About 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide

2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide (PubChem CID 45488433) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide
PubChem CID45488433
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide
SMILESI.[H]/N=c1\c(C)c(CC)n(C)c2ccccc12
InChIInChI=1S/C13H16N2.HI/c1-4-11-9(2)13(14)10-7-5-6-8-12(10)15(11)3;/h5-8,14H,4H2,1-3H3;1H/b14-13+;
InChIKeyQLBHRFZAHMGRHU-IERUDJENSA-N
XLogP3.15
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Solvent Yellow 34
CID 10298
C.I. Basic Yellow 2
CID 17170
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
2,2,4-Trimethyl-1,2-dihydroquinoline hydrochloride
CID 6602975
4-Ethyl-1,2,3,4-tetrahydro-cyclopenta[b]quinolin-9-ylideneamine
CID 16682220
(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine
CID 656767
2-(1,2-Dimethylquinolin-4-ylidene)propanedinitrile
CID 268605
Methanone, bis(4-(dimethylamino)phenyl)-, hydrazide
CID 397978
1-Ethyl-2,3,3-trimethyl-3H-indolium Iodide
CID 9995814
2,3,3-Trimethyl-1-propyl-3H-indolium iodide
CID 16217113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide?
The IUPAC name of 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide (CID 45488433) is 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide.
What is the SMILES notation for 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide?
The canonical SMILES for 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide is I.[H]/N=c1\c(C)c(CC)n(C)c2ccccc12.
What is the InChIKey of 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide?
The InChIKey is QLBHRFZAHMGRHU-IERUDJENSA-N. The full InChI is InChI=1S/C13H16N2.HI/c1-4-11-9(2)13(14)10-7-5-6-8-12(10)15(11)3;/h5-8,14H,4H2,1-3H3;1H/b14-13+;.
What are the key properties of 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide?
2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide has a molecular weight of 328.20 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethylquinolin-4-imine;hydroiodide is sourced from PubChem (CID 45488433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).