2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine

C20H27N5S — CID 138461549

IUPAC2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)C1CSC1
InChIInChI=1S/C20H27N5S/c1-3-17-23-18-19(15-8-4-5-9-16(15)22-20(18)21)25(17)11-7-6-10-24(2)14-12-26-13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H2,21,22)
InChIKeyXSFHYNBCXLDYPH-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.56
Rot. Bonds7

About 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine

2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138461549) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID138461549
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC Name2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)C1CSC1
InChIInChI=1S/C20H27N5S/c1-3-17-23-18-19(15-8-4-5-9-16(15)22-20(18)21)25(17)11-7-6-10-24(2)14-12-26-13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H2,21,22)
InChIKeyXSFHYNBCXLDYPH-UHFFFAOYSA-N
XLogP3.56
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167045867
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-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine (CID 138461549) is 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine is CCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)C1CSC1.
What is the InChIKey of 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XSFHYNBCXLDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5S/c1-3-17-23-18-19(15-8-4-5-9-16(15)22-20(18)21)25(17)11-7-6-10-24(2)14-12-26-13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H2,21,22).
What are the key properties of 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 369.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 138461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).