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

C19H24N4O2 — CID 21075818

IUPACtert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
SMILESCCCCc1nc2cnc3ccccc3c2n1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O2/c1-5-6-11-16-21-15-12-20-14-10-8-7-9-13(14)17(15)23(16)22-18(24)25-19(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyNFBDYFKHLBKSOE-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.41
Rot. Bonds4

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

tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate (PubChem CID 21075818) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
PubChem CID21075818
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
SMILESCCCCc1nc2cnc3ccccc3c2n1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O2/c1-5-6-11-16-21-15-12-20-14-10-8-7-9-13(14)17(15)23(16)22-18(24)25-19(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyNFBDYFKHLBKSOE-UHFFFAOYSA-N
XLogP4.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate (CID 21075818) is tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate is CCCCc1nc2cnc3ccccc3c2n1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate?
The InChIKey is NFBDYFKHLBKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-6-11-16-21-15-12-20-14-10-8-7-9-13(14)17(15)23(16)22-18(24)25-19(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate?
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate has a molecular weight of 340.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate is sourced from PubChem (CID 21075818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).