tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate

C20H26BrN5O2 — CID 137498142

IUPACtert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C20H26BrN5O2/c1-6-25(19(27)28-20(3,4)5)11-15-24-16-17(26(15)7-2)13-9-8-12(21)10-14(13)23-18(16)22/h8-10H,6-7,11H2,1-5H3,(H2,22,23)
InChIKeyDXXYTCCSLCBUCD-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.71
Rot. Bonds4

About tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate

tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate (PubChem CID 137498142) has the molecular formula C20H26BrN5O2 and a molecular weight of 448.37 g/mol. Its IUPAC name is tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
PubChem CID137498142
Molecular FormulaC20H26BrN5O2
Molecular Weight448.37 g/mol
Exact Mass447.13
IUPAC Nametert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C20H26BrN5O2/c1-6-25(19(27)28-20(3,4)5)11-15-24-16-17(26(15)7-2)13-9-8-12(21)10-14(13)23-18(16)22/h8-10H,6-7,11H2,1-5H3,(H2,22,23)
InChIKeyDXXYTCCSLCBUCD-UHFFFAOYSA-N
XLogP4.71
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
tert-butyl N-[[4-amino-7-bromo-1-(2-butoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 165149760
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
tert-butyl N-[[7-amino-3-[[4-(bromomethyl)phenyl]methyl]-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-4-yl]methyl]-N-ethylcarbamate
CID 167120624
tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 162153556
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
tert-butyl N-[[4-amino-7-[(Z)-1-amino-3-iminoprop-1-enyl]-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 155420723
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
1-ethyl-2-[[ethyl(prop-1-en-2-yl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine
CID 165149755
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
[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
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate (CID 137498142) is tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate is CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate?
The InChIKey is DXXYTCCSLCBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2/c1-6-25(19(27)28-20(3,4)5)11-15-24-16-17(26(15)7-2)13-9-8-12(21)10-14(13)23-18(16)22/h8-10H,6-7,11H2,1-5H3,(H2,22,23).
What are the key properties of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate?
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate has a molecular weight of 448.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate is sourced from PubChem (CID 137498142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).