N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide

C19H27N5O4S — CID 90924603

IUPACN-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide
SMILESCCCc1cc(OCCNS(C)(=O)=O)cc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C19H27N5O4S/c1-4-6-12-9-13(28-8-7-21-29(3,25)26)10-14-16(12)17-18(19(20)22-14)24-15(23-17)11-27-5-2/h9-10,21H,4-8,11H2,1-3H3,(H2,20,22)(H,23,24)
InChIKeyPSHVSVYEFIMPPE-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.11
Rot. Bonds10

About N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide

N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide (PubChem CID 90924603) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide
PubChem CID90924603
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC NameN-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide
SMILESCCCc1cc(OCCNS(C)(=O)=O)cc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C19H27N5O4S/c1-4-6-12-9-13(28-8-7-21-29(3,25)26)10-14-16(12)17-18(19(20)22-14)24-15(23-17)11-27-5-2/h9-10,21H,4-8,11H2,1-3H3,(H2,20,22)(H,23,24)
InChIKeyPSHVSVYEFIMPPE-UHFFFAOYSA-N
XLogP2.11
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.11
H-Bond Donors ≤ 53
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-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide (CID 90924603) is N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide is CCCc1cc(OCCNS(C)(=O)=O)cc2nc(N)c3[nH]c(COCC)nc3c12.
What is the InChIKey of N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is PSHVSVYEFIMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-4-6-12-9-13(28-8-7-21-29(3,25)26)10-14-16(12)17-18(19(20)22-14)24-15(23-17)11-27-5-2/h9-10,21H,4-8,11H2,1-3H3,(H2,20,22)(H,23,24).
What are the key properties of N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide?
N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 2.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-7-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 90924603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).