(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate

C17H18BrN3O2 — CID 123424253

IUPAC(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate
SMILESCCC(C)n1c(COC(C)=O)nc2cnc3cc(Br)ccc3c21
InChIInChI=1S/C17H18BrN3O2/c1-4-10(2)21-16(9-23-11(3)22)20-15-8-19-14-7-12(18)5-6-13(14)17(15)21/h5-8,10H,4,9H2,1-3H3
InChIKeyQAIZLYRTIAQFQV-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.38
Rot. Bonds4

About (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate

(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate (PubChem CID 123424253) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate
PubChem CID123424253
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate
SMILESCCC(C)n1c(COC(C)=O)nc2cnc3cc(Br)ccc3c21
InChIInChI=1S/C17H18BrN3O2/c1-4-10(2)21-16(9-23-11(3)22)20-15-8-19-14-7-12(18)5-6-13(14)17(15)21/h5-8,10H,4,9H2,1-3H3
InChIKeyQAIZLYRTIAQFQV-UHFFFAOYSA-N
XLogP4.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]hexane-2-sulfonamide
CID 68817958
5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 68817531
4-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl N-tert-butylcarbamate
CID 91324743
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 154675670
7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinoline
CID 155213774
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406
tert-butyl N-[(7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-1-ethyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-2-yl)methyl]-N-ethylcarbamate
CID 167596964
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate?
The IUPAC name of (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate (CID 123424253) is (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate.
What is the SMILES notation for (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate?
The canonical SMILES for (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate is CCC(C)n1c(COC(C)=O)nc2cnc3cc(Br)ccc3c21.
What is the InChIKey of (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate?
The InChIKey is QAIZLYRTIAQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-4-10(2)21-16(9-23-11(3)22)20-15-8-19-14-7-12(18)5-6-13(14)17(15)21/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate?
(7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate has a molecular weight of 376.25 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-butan-2-ylimidazo[4,5-c]quinolin-2-yl)methyl acetate is sourced from PubChem (CID 123424253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).