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

C22H29BrN4O2 — CID 86593760

IUPACtert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H29BrN4O2/c1-5-8-19-26-18-14-25-17-13-15(23)9-10-16(17)20(18)27(19)12-7-6-11-24-21(28)29-22(2,3)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,24,28)
InChIKeyIVEDNIOHSGXRKL-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.60
Rot. Bonds7

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

tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate (PubChem CID 86593760) has the molecular formula C22H29BrN4O2 and a molecular weight of 461.40 g/mol. Its IUPAC name is tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
PubChem CID86593760
Molecular FormulaC22H29BrN4O2
Molecular Weight461.40 g/mol
Exact Mass460.15
IUPAC Nametert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H29BrN4O2/c1-5-8-19-26-18-14-25-17-13-15(23)9-10-16(17)20(18)27(19)12-7-6-11-24-21(28)29-22(2,3)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,24,28)
InChIKeyIVEDNIOHSGXRKL-UHFFFAOYSA-N
XLogP5.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 154675670
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
4-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl N-tert-butylcarbamate
CID 91324743
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
tert-butyl [2,2-dimethylpropanoyl-[4-(2-propylimidazo[4,5-c]quinolin-1-yl)butyl]amino] carbonate
CID 86612262
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
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-[5-(7-bromo-4-oxo-3H-quinazolin-2-yl)pentyl]carbamate
CID 178029382
tert-butyl N-[5-(1-benzyl-2-butylimidazo[4,5-c]quinolin-8-yl)pent-4-ynyl]carbamate
CID 160837205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate (CID 86593760) is tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate is CCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate?
The InChIKey is IVEDNIOHSGXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN4O2/c1-5-8-19-26-18-14-25-17-13-15(23)9-10-16(17)20(18)27(19)12-7-6-11-24-21(28)29-22(2,3)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,24,28).
What are the key properties of tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate?
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate has a molecular weight of 461.40 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate is sourced from PubChem (CID 86593760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).