tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate

C23H33N5O4 — CID 91476942

IUPACtert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate
SMILESCCCc1c(OCCNC(=O)OC(C)(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C23H33N5O4/c1-6-8-14-16(31-12-11-25-22(29)32-23(3,4)5)10-9-15-18(14)19-20(21(24)26-15)28-17(27-19)13-30-7-2/h9-10H,6-8,11-13H2,1-5H3,(H2,24,26)(H,25,29)(H,27,28)
InChIKeyNWUKUVAUSXGKIQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.09
Rot. Bonds9

About tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate

tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate (PubChem CID 91476942) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate
PubChem CID91476942
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Nametert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate
SMILESCCCc1c(OCCNC(=O)OC(C)(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C23H33N5O4/c1-6-8-14-16(31-12-11-25-22(29)32-23(3,4)5)10-9-15-18(14)19-20(21(24)26-15)28-17(27-19)13-30-7-2/h9-10H,6-8,11-13H2,1-5H3,(H2,24,26)(H,25,29)(H,27,28)
InChIKeyNWUKUVAUSXGKIQ-UHFFFAOYSA-N
XLogP4.09
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea
CID 91034544
4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-ol
CID 68901635
N-[3-[[4-amino-2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]propyl]acetamide
CID 170083568
tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
CID 86709756
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[4-[7-amino-4-(ethoxymethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-3-yl]butyl]carbamate
CID 168966274
tert-butyl N-[3-(2-amino-6-butoxy-7H-purin-8-yl)propyl]carbamate
CID 67262401
ethyl 3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1-benzofuran-2-carboxylate
CID 68714486
tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate
CID 155679535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate (CID 91476942) is tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate is CCCc1c(OCCNC(=O)OC(C)(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12.
What is the InChIKey of tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate?
The InChIKey is NWUKUVAUSXGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-6-8-14-16(31-12-11-25-22(29)32-23(3,4)5)10-9-15-18(14)19-20(21(24)26-15)28-17(27-19)13-30-7-2/h9-10H,6-8,11-13H2,1-5H3,(H2,24,26)(H,25,29)(H,27,28).
What are the key properties of tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate has a molecular weight of 443.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 91476942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).