3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide

C15H21IN2 — CID 6603237

IUPAC3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide
SMILESI.[H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12
InChIInChI=1S/C15H20N2.HI/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3;/h6-7,9-10,16H,4-5,8H2,1-3H3;1H/b16-15+;
InChIKeyPRRGYAMUBWMGTB-GEEYTBSJSA-N
MW356.25 g/mol
LogP3.79
Rot. Bonds3

About 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide

3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide (PubChem CID 6603237) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide
PubChem CID6603237
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide
SMILESI.[H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12
InChIInChI=1S/C15H20N2.HI/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3;/h6-7,9-10,16H,4-5,8H2,1-3H3;1H/b16-15+;
InChIKeyPRRGYAMUBWMGTB-GEEYTBSJSA-N
XLogP3.79
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.79
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 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide?
The IUPAC name of 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide (CID 6603237) is 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide?
The canonical SMILES for 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide is I.[H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12.
What is the InChIKey of 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide?
The InChIKey is PRRGYAMUBWMGTB-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H20N2.HI/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3;/h6-7,9-10,16H,4-5,8H2,1-3H3;1H/b16-15+;.
What are the key properties of 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide?
3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-propylquinolin-4-imine;hydroiodide is sourced from PubChem (CID 6603237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).