N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide

C26H40N6O5S — CID 11663966

IUPACN-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide
SMILESCCOCc1nc2c(N)nc3cc(OCCCCCCNC(C)=O)ccc3c2n1CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C26H40N6O5S/c1-6-36-16-22-30-23-24(32(22)17-26(3,4)31-38(5,34)35)20-12-11-19(15-21(20)29-25(23)27)37-14-10-8-7-9-13-28-18(2)33/h11-12,15,31H,6-10,13-14,16-17H2,1-5H3,(H2,27,29)(H,28,33)
InChIKeyXMIXRRDIMDDDTJ-UHFFFAOYSA-N
MW548.71 g/mol
LogP3.11
Rot. Bonds15

About N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide

N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide (PubChem CID 11663966) has the molecular formula C26H40N6O5S and a molecular weight of 548.71 g/mol. Its IUPAC name is N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide
PubChem CID11663966
Molecular FormulaC26H40N6O5S
Molecular Weight548.71 g/mol
Exact Mass548.28
IUPAC NameN-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide
SMILESCCOCc1nc2c(N)nc3cc(OCCCCCCNC(C)=O)ccc3c2n1CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C26H40N6O5S/c1-6-36-16-22-30-23-24(32(22)17-26(3,4)31-38(5,34)35)20-12-11-19(15-21(20)29-25(23)27)37-14-10-8-7-9-13-28-18(2)33/h11-12,15,31H,6-10,13-14,16-17H2,1-5H3,(H2,27,29)(H,28,33)
InChIKeyXMIXRRDIMDDDTJ-UHFFFAOYSA-N
XLogP3.11
TPSA150.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.71
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]-3-propan-2-ylurea
CID 58833647
N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen
CID 160641308
1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 58833657
1-[3-[4-amino-1-(5-aminopentyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one;methanethiol
CID 143228029
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane
CID 143030078
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
1-[3-[4-amino-1-[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 68968933
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-methylpropanamide
CID 138719993
N'-[1-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]propane-1,3-diamine
CID 175941283
N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide
CID 143283933

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide?
The IUPAC name of N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide (CID 11663966) is N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide.
What is the SMILES notation for N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide?
The canonical SMILES for N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide is CCOCc1nc2c(N)nc3cc(OCCCCCCNC(C)=O)ccc3c2n1CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide?
The InChIKey is XMIXRRDIMDDDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O5S/c1-6-36-16-22-30-23-24(32(22)17-26(3,4)31-38(5,34)35)20-12-11-19(15-21(20)29-25(23)27)37-14-10-8-7-9-13-28-18(2)33/h11-12,15,31H,6-10,13-14,16-17H2,1-5H3,(H2,27,29)(H,28,33).
What are the key properties of N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide?
N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide has a molecular weight of 548.71 g/mol, XLogP of 3.11, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide is sourced from PubChem (CID 11663966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).