1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine

C21H28N4O3S — CID 143089135

IUPAC1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESC=CCS(=O)(=O)CCCOCCn1c(CCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H28N4O3S/c1-3-8-18-24-19-20(16-9-5-6-10-17(16)23-21(19)22)25(18)11-13-28-12-7-15-29(26,27)14-4-2/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H2,22,23)
InChIKeyKJBSFIUTIWHJCP-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.13
Rot. Bonds11

About 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine

1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine (PubChem CID 143089135) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
PubChem CID143089135
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESC=CCS(=O)(=O)CCCOCCn1c(CCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H28N4O3S/c1-3-8-18-24-19-20(16-9-5-6-10-17(16)23-21(19)22)25(18)11-13-28-12-7-15-29(26,27)14-4-2/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H2,22,23)
InChIKeyKJBSFIUTIWHJCP-UHFFFAOYSA-N
XLogP3.13
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142145757
3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
CID 139451645
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine (CID 143089135) is 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine is C=CCS(=O)(=O)CCCOCCn1c(CCC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is KJBSFIUTIWHJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-3-8-18-24-19-20(16-9-5-6-10-17(16)23-21(19)22)25(18)11-13-28-12-7-15-29(26,27)14-4-2/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H2,22,23).
What are the key properties of 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine?
1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 416.55 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-2-enylsulfonylpropoxy)ethyl]-2-propylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143089135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).