1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

C19H25BrN4O — CID 175941278

IUPAC1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
SMILESCCCC(C)c1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C19H25BrN4O/c1-5-6-11(2)18-23-15-16(24(18)10-19(3,4)25)13-8-7-12(20)9-14(13)22-17(15)21/h7-9,11,25H,5-6,10H2,1-4H3,(H2,21,22)
InChIKeyBPEOAQRRLSXYHZ-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.60
Rot. Bonds5

About 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol (PubChem CID 175941278) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
PubChem CID175941278
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
SMILESCCCC(C)c1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C19H25BrN4O/c1-5-6-11(2)18-23-15-16(24(18)10-19(3,4)25)13-8-7-12(20)9-14(13)22-17(15)21/h7-9,11,25H,5-6,10H2,1-4H3,(H2,21,22)
InChIKeyBPEOAQRRLSXYHZ-UHFFFAOYSA-N
XLogP4.60
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol with MolForge

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Related Compounds

[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
1-[2-(2-aminoethoxy)-2-methylpropyl]-7-benzyl-2-[(2R)-pentan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 175941322
tert-butyl N-[[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 176656377
7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
CID 69177518
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 148598404
1-(4-amino-8-bromoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 69080714
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
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-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
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-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol (CID 175941278) is 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol is CCCC(C)c1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
The InChIKey is BPEOAQRRLSXYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-5-6-11(2)18-23-15-16(24(18)10-19(3,4)25)13-8-7-12(20)9-14(13)22-17(15)21/h7-9,11,25H,5-6,10H2,1-4H3,(H2,21,22).
What are the key properties of 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol?
1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol has a molecular weight of 405.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 175941278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).