2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide

C24H25IN4O — CID 69080447

IUPAC2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCC#Cc1ccc(OC)cc1.I
InChIInChI=1S/C24H24N4O.HI/c1-3-21-27-22-23(19-10-6-7-11-20(19)26-24(22)25)28(21)16-8-4-5-9-17-12-14-18(29-2)15-13-17;/h6-7,10-15H,3-4,8,16H2,1-2H3,(H2,25,26);1H
InChIKeyKEJIYDXTOVEECS-UHFFFAOYSA-N
MW512.40 g/mol
LogP5.19
Rot. Bonds5

About 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide

2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide (PubChem CID 69080447) has the molecular formula C24H25IN4O and a molecular weight of 512.40 g/mol. Its IUPAC name is 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide
PubChem CID69080447
Molecular FormulaC24H25IN4O
Molecular Weight512.40 g/mol
Exact Mass512.11
IUPAC Name2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCC#Cc1ccc(OC)cc1.I
InChIInChI=1S/C24H24N4O.HI/c1-3-21-27-22-23(19-10-6-7-11-20(19)26-24(22)25)28(21)16-8-4-5-9-17-12-14-18(29-2)15-13-17;/h6-7,10-15H,3-4,8,16H2,1-2H3,(H2,25,26);1H
InChIKeyKEJIYDXTOVEECS-UHFFFAOYSA-N
XLogP5.19
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549
2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
CID 69084239
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-[4-[4-amino-2-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]butyl]-3-propylurea;molecular hydrogen
CID 161339693

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide?
The IUPAC name of 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide (CID 69080447) is 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide?
The canonical SMILES for 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide is CCc1nc2c(N)nc3ccccc3c2n1CCCC#Cc1ccc(OC)cc1.I.
What is the InChIKey of 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide?
The InChIKey is KEJIYDXTOVEECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O.HI/c1-3-21-27-22-23(19-10-6-7-11-20(19)26-24(22)25)28(21)16-8-4-5-9-17-12-14-18(29-2)15-13-17;/h6-7,10-15H,3-4,8,16H2,1-2H3,(H2,25,26);1H.
What are the key properties of 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide?
2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide has a molecular weight of 512.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide is sourced from PubChem (CID 69080447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).