tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate

C30H46N6O5 — CID 118451670

IUPACtert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C30H46N6O5/c1-7-39-19-23-35-25-26(21-13-10-11-14-22(21)34-27(25)31)36(23)20-30(5,6)40-18-17-32-24(37)15-9-8-12-16-33-28(38)41-29(2,3)4/h10-11,13-14H,7-9,12,15-20H2,1-6H3,(H2,31,34)(H,32,37)(H,33,38)
InChIKeyJLJAQZUQGVQSDD-UHFFFAOYSA-N
MW570.74 g/mol
LogP4.70
Rot. Bonds15

About tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate

tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate (PubChem CID 118451670) has the molecular formula C30H46N6O5 and a molecular weight of 570.74 g/mol. Its IUPAC name is tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate
PubChem CID118451670
Molecular FormulaC30H46N6O5
Molecular Weight570.74 g/mol
Exact Mass570.35
IUPAC Nametert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C30H46N6O5/c1-7-39-19-23-35-25-26(21-13-10-11-14-22(21)34-27(25)31)36(23)20-30(5,6)40-18-17-32-24(37)15-9-8-12-16-33-28(38)41-29(2,3)4/h10-11,13-14H,7-9,12,15-20H2,1-6H3,(H2,31,34)(H,32,37)(H,33,38)
InChIKeyJLJAQZUQGVQSDD-UHFFFAOYSA-N
XLogP4.70
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.74
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate (CID 118451670) is tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate?
The InChIKey is JLJAQZUQGVQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O5/c1-7-39-19-23-35-25-26(21-13-10-11-14-22(21)34-27(25)31)36(23)20-30(5,6)40-18-17-32-24(37)15-9-8-12-16-33-28(38)41-29(2,3)4/h10-11,13-14H,7-9,12,15-20H2,1-6H3,(H2,31,34)(H,32,37)(H,33,38).
What are the key properties of tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate?
tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate has a molecular weight of 570.74 g/mol, XLogP of 4.70, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-6-oxohexyl]carbamate is sourced from PubChem (CID 118451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).