2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine

C23H33N5OS — CID 143030116

IUPAC2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCSN1CCC(CCOc2ccc3c(c2)nc(N)c2nc(C)n(CC(C)C)c23)CC1
InChIInChI=1S/C23H33N5OS/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)29-12-9-17-7-10-27(30-4)11-8-17/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26)
InChIKeyVVJVWGVMFZMNRN-UHFFFAOYSA-N
MW427.62 g/mol
LogP4.89
Rot. Bonds7

About 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine

2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine (PubChem CID 143030116) has the molecular formula C23H33N5OS and a molecular weight of 427.62 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
PubChem CID143030116
Molecular FormulaC23H33N5OS
Molecular Weight427.62 g/mol
Exact Mass427.24
IUPAC Name2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCSN1CCC(CCOc2ccc3c(c2)nc(N)c2nc(C)n(CC(C)C)c23)CC1
InChIInChI=1S/C23H33N5OS/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)29-12-9-17-7-10-27(30-4)11-8-17/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26)
InChIKeyVVJVWGVMFZMNRN-UHFFFAOYSA-N
XLogP4.89
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
CID 58833731
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
CID 58833656
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
CID 143012822
N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
CID 11442679
1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
CID 11340046
7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate
CID 68972148
N-[2-(4-amino-1,2-dimethylimidazo[4,5-c]quinolin-7-yl)oxyethyl]morpholine-4-carboxamide
CID 143227996
7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 68972938
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone
CID 163786847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine (CID 143030116) is 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine is CSN1CCC(CCOc2ccc3c(c2)nc(N)c2nc(C)n(CC(C)C)c23)CC1.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is VVJVWGVMFZMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)29-12-9-17-7-10-27(30-4)11-8-17/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26).
What are the key properties of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 427.62 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143030116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).