2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid

C24H33N5O5 — CID 146521391

IUPAC2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid
SMILESCCOCc1nc2c(N)nc3cc(CC(CC)C(=O)O)ccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C24H33N5O5/c1-5-15(23(31)32)9-14-7-8-16-17(10-14)27-22(26)20-21(16)29(18(28-20)12-33-6-2)13-24(3,4)34-19(30)11-25/h7-8,10,15H,5-6,9,11-13,25H2,1-4H3,(H2,26,27)(H,31,32)
InChIKeyCTQOUZPOLGUPHT-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.64
Rot. Bonds11

About 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid

2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid (PubChem CID 146521391) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid
PubChem CID146521391
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid
SMILESCCOCc1nc2c(N)nc3cc(CC(CC)C(=O)O)ccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C24H33N5O5/c1-5-15(23(31)32)9-14-7-8-16-17(10-14)27-22(26)20-21(16)29(18(28-20)12-33-6-2)13-24(3,4)34-19(30)11-25/h7-8,10,15H,5-6,9,11-13,25H2,1-4H3,(H2,26,27)(H,31,32)
InChIKeyCTQOUZPOLGUPHT-UHFFFAOYSA-N
XLogP2.64
TPSA155.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 6-[3-[bis[(Z)-octadec-9-enyl]amino]propyl-[(Z)-octadec-9-enyl]amino]hexanoate
CID 168796225
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
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
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-[2-[2-[[4-(hydrazinecarbonyl)benzoyl]amino]ethoxy]ethoxy]acetate
CID 71615998
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-(1H-indol-2-yl)propanamide
CID 138719995
[(Z)-non-2-enyl] 9-[3-[[6-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxy-6-oxohexyl]-[9-[(Z)-non-2-enoxy]-9-oxononyl]amino]propyl-[9-[(Z)-non-2-enoxy]-9-oxononyl]amino]nonanoate
CID 168796233
[1-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] tert-butyl carbonate
CID 176885324

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid?
The IUPAC name of 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid (CID 146521391) is 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid is CCOCc1nc2c(N)nc3cc(CC(CC)C(=O)O)ccc3c2n1CC(C)(C)OC(=O)CN.
What is the InChIKey of 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid?
The InChIKey is CTQOUZPOLGUPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-5-15(23(31)32)9-14-7-8-16-17(10-14)27-22(26)20-21(16)29(18(28-20)12-33-6-2)13-24(3,4)34-19(30)11-25/h7-8,10,15H,5-6,9,11-13,25H2,1-4H3,(H2,26,27)(H,31,32).
What are the key properties of 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid?
2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid has a molecular weight of 471.56 g/mol, XLogP of 2.64, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid is sourced from PubChem (CID 146521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).