[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate

C18H22BrN5O3 — CID 176885321

IUPAC[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H22BrN5O3/c1-4-21-17(25)27-8-13-23-14-15(24(13)9-18(2,3)26)11-6-5-10(19)7-12(11)22-16(14)20/h5-7,26H,4,8-9H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyHKZCZWMLVLLIFJ-UHFFFAOYSA-N
MW436.31 g/mol
LogP2.95
Rot. Bonds5

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

[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate (PubChem CID 176885321) has the molecular formula C18H22BrN5O3 and a molecular weight of 436.31 g/mol. Its IUPAC name is [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
PubChem CID176885321
Molecular FormulaC18H22BrN5O3
Molecular Weight436.31 g/mol
Exact Mass435.09
IUPAC Name[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H22BrN5O3/c1-4-21-17(25)27-8-13-23-14-15(24(13)9-18(2,3)26)11-6-5-10(19)7-12(11)22-16(14)20/h5-7,26H,4,8-9H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyHKZCZWMLVLLIFJ-UHFFFAOYSA-N
XLogP2.95
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 176656377
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
1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 175941278
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
1-[4-amino-2-(methoxymethyl)-7-(4-methylsulfonylbutyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 146731928
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 148598404
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
CID 137498142
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 161180886

Frequently Asked Questions

What is the IUPAC name of [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate?
The IUPAC name of [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate (CID 176885321) is [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate.
What is the SMILES notation for [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate?
The canonical SMILES for [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate is CCNC(=O)OCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O.
What is the InChIKey of [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate?
The InChIKey is HKZCZWMLVLLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O3/c1-4-21-17(25)27-8-13-23-14-15(24(13)9-18(2,3)26)11-6-5-10(19)7-12(11)22-16(14)20/h5-7,26H,4,8-9H2,1-3H3,(H2,20,22)(H,21,25).
What are the key properties of [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate?
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate has a molecular weight of 436.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 176885321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).