4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide

C20H27BrN6O — CID 146561403

IUPAC4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
SMILESCCN(C)Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)N(C)C
InChIInChI=1S/C20H27BrN6O/c1-5-26(4)12-16-24-18-19(27(16)10-6-7-17(28)25(2)3)14-9-8-13(21)11-15(14)23-20(18)22/h8-9,11H,5-7,10,12H2,1-4H3,(H2,22,23)
InChIKeyKRFVOHPPVIJDJV-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.25
Rot. Bonds7

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

4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide (PubChem CID 146561403) has the molecular formula C20H27BrN6O and a molecular weight of 447.38 g/mol. Its IUPAC name is 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
PubChem CID146561403
Molecular FormulaC20H27BrN6O
Molecular Weight447.38 g/mol
Exact Mass446.14
IUPAC Name4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
SMILESCCN(C)Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)N(C)C
InChIInChI=1S/C20H27BrN6O/c1-5-26(4)12-16-24-18-19(27(16)10-6-7-17(28)25(2)3)14-9-8-13(21)11-15(14)23-20(18)22/h8-9,11H,5-7,10,12H2,1-4H3,(H2,22,23)
InChIKeyKRFVOHPPVIJDJV-UHFFFAOYSA-N
XLogP3.25
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide with MolForge

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Related Compounds

N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
CID 137498142
tert-butyl N-[[4-amino-7-bromo-1-(2-butoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 165149760
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol
CID 146561410
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-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine
CID 146561636
3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide
CID 143283911
N-[[4-amino-7-chloro-1-(4-morpholin-4-yl-4-oxobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylformamide
CID 155420815
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide (CID 146561403) is 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide is CCN(C)Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)N(C)C.
What is the InChIKey of 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide?
The InChIKey is KRFVOHPPVIJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN6O/c1-5-26(4)12-16-24-18-19(27(16)10-6-7-17(28)25(2)3)14-9-8-13(21)11-15(14)23-20(18)22/h8-9,11H,5-7,10,12H2,1-4H3,(H2,22,23).
What are the key properties of 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide?
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide has a molecular weight of 447.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 146561403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).