N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide

C18H25N5O3S — CID 58833656

IUPACN-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
SMILESCc1nc2c(N)nc3cc(OCCNS(C)(=O)=O)ccc3c2n1CC(C)C
InChIInChI=1S/C18H25N5O3S/c1-11(2)10-23-12(3)21-16-17(23)14-6-5-13(9-15(14)22-18(16)19)26-8-7-20-27(4,24)25/h5-6,9,11,20H,7-8,10H2,1-4H3,(H2,19,22)
InChIKeySMQFVSBLIJDXIG-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.06
Rot. Bonds7

About N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide

N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide (PubChem CID 58833656) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
PubChem CID58833656
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
SMILESCc1nc2c(N)nc3cc(OCCNS(C)(=O)=O)ccc3c2n1CC(C)C
InChIInChI=1S/C18H25N5O3S/c1-11(2)10-23-12(3)21-16-17(23)14-6-5-13(9-15(14)22-18(16)19)26-8-7-20-27(4,24)25/h5-6,9,11,20H,7-8,10H2,1-4H3,(H2,19,22)
InChIKeySMQFVSBLIJDXIG-UHFFFAOYSA-N
XLogP2.06
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide (CID 58833656) is N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide is Cc1nc2c(N)nc3cc(OCCNS(C)(=O)=O)ccc3c2n1CC(C)C.
What is the InChIKey of N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide?
The InChIKey is SMQFVSBLIJDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-11(2)10-23-12(3)21-16-17(23)14-6-5-13(9-15(14)22-18(16)19)26-8-7-20-27(4,24)25/h5-6,9,11,20H,7-8,10H2,1-4H3,(H2,19,22).
What are the key properties of N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide?
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide is sourced from PubChem (CID 58833656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).