N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide

C17H24N6O3S — CID 137387050

IUPACN-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1NC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C17H24N6O3S/c1-5-26-10-13-20-14-15(11-8-6-7-9-12(11)19-16(14)18)23(13)21-17(2,3)22-27(4,24)25/h6-9,21-22H,5,10H2,1-4H3,(H2,18,19)
InChIKeyVAGWHIPVLCCHEP-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.53
Rot. Bonds7

About N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide

N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide (PubChem CID 137387050) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide
PubChem CID137387050
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1NC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C17H24N6O3S/c1-5-26-10-13-20-14-15(11-8-6-7-9-12(11)19-16(14)18)23(13)21-17(2,3)22-27(4,24)25/h6-9,21-22H,5,10H2,1-4H3,(H2,18,19)
InChIKeyVAGWHIPVLCCHEP-UHFFFAOYSA-N
XLogP1.53
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide with MolForge

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Related Compounds

2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
CID 146320064
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937
1-methyl-2-(methylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 59796097

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide (CID 137387050) is N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide is CCOCc1nc2c(N)nc3ccccc3c2n1NC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide?
The InChIKey is VAGWHIPVLCCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-5-26-10-13-20-14-15(11-8-6-7-9-12(11)19-16(14)18)23(13)21-17(2,3)22-27(4,24)25/h6-9,21-22H,5,10H2,1-4H3,(H2,18,19).
What are the key properties of N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide?
N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide has a molecular weight of 392.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 137387050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).