tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate

C21H28BrN5O2 — CID 86593766

IUPACtert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C21H28BrN5O2/c1-5-6-7-16-26-17-18(14-9-8-13(22)12-15(14)25-19(17)23)27(16)11-10-24-20(28)29-21(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,23,25)(H,24,28)
InChIKeyVRSOTNQHWUIWMI-UHFFFAOYSA-N
MW462.39 g/mol
LogP4.80
Rot. Bonds6

About tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate (PubChem CID 86593766) has the molecular formula C21H28BrN5O2 and a molecular weight of 462.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate
PubChem CID86593766
Molecular FormulaC21H28BrN5O2
Molecular Weight462.39 g/mol
Exact Mass461.14
IUPAC Nametert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate
SMILESCCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C21H28BrN5O2/c1-5-6-7-16-26-17-18(14-9-8-13(22)12-15(14)25-19(17)23)27(16)11-10-24-20(28)29-21(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,23,25)(H,24,28)
InChIKeyVRSOTNQHWUIWMI-UHFFFAOYSA-N
XLogP4.80
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate with MolForge

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Related Compounds

4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
CID 44592366
N-(3-bromophenyl)-5-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5328386
1-[3-(4-Bromo-benzyl)-2,5-dimethyl-3H-imidazo[4,5-b]pyridin-6-yl]-3-ethyl-urea
CID 645806
N-[1-(4-Bromo-benzyl)-2,5-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl]-acetamide
CID 646795
3-(4-Bromo-benzyl)-2-butyl-5-methyl-3H-imidazo[4,5-b]pyridin-6-ylamine
CID 3197688
tert-butyl N-[2-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]carbamate
CID 137639657
1-[2-(2-Aminoethoxy)-2-methylpropyl]-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 118451555
N-(2-(1-(4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-yloxy)ethyl)acetamide
CID 118451568
1-[2-(2-Aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 118451580
1-(2-(2-Aminoethoxy)-2-methylpropyl)-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine
CID 118451585
1-(4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-yl 2-aminoacetate
CID 118451591
tert-Butyl 6-(2-(1-(4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-yloxy)ethylamino)-6-oxohexylcarbamate
CID 118451670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate (CID 86593766) is tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate is CCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate?
The InChIKey is VRSOTNQHWUIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN5O2/c1-5-6-7-16-26-17-18(14-9-8-13(22)12-15(14)25-19(17)23)27(16)11-10-24-20(28)29-21(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,23,25)(H,24,28).
What are the key properties of tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate has a molecular weight of 462.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]carbamate is sourced from PubChem (CID 86593766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).