tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate

C22H28N4O3 — CID 71212385

IUPACtert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1
InChIInChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)24-14-8-9-15(12-14)26-19(10-11-27)25-18-13-23-17-7-5-4-6-16(17)20(18)26/h4-7,13-15,27H,8-12H2,1-3H3,(H,24,28)
InChIKeyPSZBIKZQCLLLOE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate

tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate (PubChem CID 71212385) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate
PubChem CID71212385
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Nametert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1
InChIInChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)24-14-8-9-15(12-14)26-19(10-11-27)25-18-13-23-17-7-5-4-6-16(17)20(18)26/h4-7,13-15,27H,8-12H2,1-3H3,(H,24,28)
InChIKeyPSZBIKZQCLLLOE-UHFFFAOYSA-N
XLogP3.74
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 144507404
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
tert-butyl N-[3-[10-(benzenesulfonyl)-4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclopentyl]carbamate
CID 67346946
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
tert-butyl N-[(1R,3S)-3-[(3-nitroquinolin-4-yl)amino]cyclopentyl]carbamate
CID 154079962
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
CID 139326760
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate
CID 168885407
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-[(3S)-1-(3-cyanoquinolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate (CID 71212385) is tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1.
What is the InChIKey of tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate?
The InChIKey is PSZBIKZQCLLLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)24-14-8-9-15(12-14)26-19(10-11-27)25-18-13-23-17-7-5-4-6-16(17)20(18)26/h4-7,13-15,27H,8-12H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate?
tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]carbamate is sourced from PubChem (CID 71212385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).