1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine

C28H37N5O — CID 175941322

IUPAC1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC[C@@H](C)c1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C28H37N5O/c1-5-9-19(2)27-32-24-25(33(27)18-28(3,4)34-15-14-29)22-13-12-21(17-23(22)31-26(24)30)16-20-10-7-6-8-11-20/h6-8,10-13,17,19H,5,9,14-16,18,29H2,1-4H3,(H2,30,31)/t19-/m1/s1
InChIKeyXNFRUWGGRNIESQ-LJQANCHMSA-N
MW459.64 g/mol
LogP5.41
Rot. Bonds10

About 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 175941322) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID175941322
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC[C@@H](C)c1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C28H37N5O/c1-5-9-19(2)27-32-24-25(33(27)18-28(3,4)34-15-14-29)22-13-12-21(17-23(22)31-26(24)30)16-20-10-7-6-8-11-20/h6-8,10-13,17,19H,5,9,14-16,18,29H2,1-4H3,(H2,30,31)/t19-/m1/s1
InChIKeyXNFRUWGGRNIESQ-LJQANCHMSA-N
XLogP5.41
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 175941278
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
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
2-ethyl-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
CID 58917342
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941252
benzyl N-[1-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 146490380
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide
CID 138719996
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid
CID 146521391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 175941322) is 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine is CCC[C@@H](C)c1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CC(C)(C)OCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XNFRUWGGRNIESQ-LJQANCHMSA-N. The full InChI is InChI=1S/C28H37N5O/c1-5-9-19(2)27-32-24-25(33(27)18-28(3,4)34-15-14-29)22-13-12-21(17-23(22)31-26(24)30)16-20-10-7-6-8-11-20/h6-8,10-13,17,19H,5,9,14-16,18,29H2,1-4H3,(H2,30,31)/t19-/m1/s1.
What are the key properties of 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 459.64 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 175941322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).