tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

C24H27N5O3 — CID 164926492

IUPACtert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(Cn2c(CO)nc3c(N)nc4ccccc4c32)cc1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)26-12-15-8-10-16(11-9-15)13-29-19(14-30)28-20-21(29)17-6-4-5-7-18(17)27-22(20)25/h4-11,30H,12-14H2,1-3H3,(H2,25,27)(H,26,31)
InChIKeyXWDFDDWLCDQLEU-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.73
Rot. Bonds5

About tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate (PubChem CID 164926492) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
PubChem CID164926492
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nametert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(Cn2c(CO)nc3c(N)nc4ccccc4c32)cc1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)26-12-15-8-10-16(11-9-15)13-29-19(14-30)28-20-21(29)17-6-4-5-7-18(17)27-22(20)25/h4-11,30H,12-14H2,1-3H3,(H2,25,27)(H,26,31)
InChIKeyXWDFDDWLCDQLEU-UHFFFAOYSA-N
XLogP3.73
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-(2,2-dimethylbutanoylamino)ethyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 140918542
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 135283177
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
3-[2-[2-[2-[[2-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155178443
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 135282945
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
[4-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 71009411
3-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-(propanoylamino)propanamide
CID 172627056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate (CID 164926492) is tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(Cn2c(CO)nc3c(N)nc4ccccc4c32)cc1.
What is the InChIKey of tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate?
The InChIKey is XWDFDDWLCDQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)26-12-15-8-10-16(11-9-15)13-29-19(14-30)28-20-21(29)17-6-4-5-7-18(17)27-22(20)25/h4-11,30H,12-14H2,1-3H3,(H2,25,27)(H,26,31).
What are the key properties of tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate has a molecular weight of 433.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 164926492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).