1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea

C17H22N6O3 — CID 11164204

IUPAC1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
SMILESCNC(=O)NOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H22N6O3/c1-17(2,25)9-23-12(8-26-22-16(24)19-3)21-13-14(23)10-6-4-5-7-11(10)20-15(13)18/h4-7,25H,8-9H2,1-3H3,(H2,18,20)(H2,19,22,24)
InChIKeyNVGHAHMFXPAEOJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.30
Rot. Bonds5

About 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea

1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea (PubChem CID 11164204) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea.

Molecular Properties

Compound Name1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
PubChem CID11164204
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
SMILESCNC(=O)NOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H22N6O3/c1-17(2,25)9-23-12(8-26-22-16(24)19-3)21-13-14(23)10-6-4-5-7-11(10)20-15(13)18/h4-7,25H,8-9H2,1-3H3,(H2,18,20)(H2,19,22,24)
InChIKeyNVGHAHMFXPAEOJ-UHFFFAOYSA-N
XLogP1.30
TPSA127.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea with MolForge

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Related Compounds

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-[[4-amino-1-(2-aminoethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylurea
CID 69322503
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea
CID 118231808
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-methylpropanamide
CID 138719993
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;3,6-dimethyl-1,4-dioxane-2,5-dione;1,4-dioxane-2,5-dione;N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 159245643
1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-3-yl]-2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 44592367
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CID 11656870
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
CID 143292286

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea?
The IUPAC name of 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea (CID 11164204) is 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea.
What is the SMILES notation for 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea?
The canonical SMILES for 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea is CNC(=O)NOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea?
The InChIKey is NVGHAHMFXPAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-17(2,25)9-23-12(8-26-22-16(24)19-3)21-13-14(23)10-6-4-5-7-11(10)20-15(13)18/h4-7,25H,8-9H2,1-3H3,(H2,18,20)(H2,19,22,24).
What are the key properties of 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea?
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea has a molecular weight of 358.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea is sourced from PubChem (CID 11164204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).