4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol

C18H24N4O3 — CID 146371464

IUPAC4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol
SMILESCOC(N)Cc1nc2cccc(OCCC(C)(C)O)c2c2nc[nH]c12
InChIInChI=1S/C18H24N4O3/c1-18(2,23)7-8-25-13-6-4-5-11-15(13)17-16(20-10-21-17)12(22-11)9-14(19)24-3/h4-6,10,14,23H,7-9,19H2,1-3H3,(H,20,21)
InChIKeyZMCFZAIBSDWVPD-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.12
Rot. Bonds7

About 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol

4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol (PubChem CID 146371464) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol
PubChem CID146371464
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol
SMILESCOC(N)Cc1nc2cccc(OCCC(C)(C)O)c2c2nc[nH]c12
InChIInChI=1S/C18H24N4O3/c1-18(2,23)7-8-25-13-6-4-5-11-15(13)17-16(20-10-21-17)12(22-11)9-14(19)24-3/h4-6,10,14,23H,7-9,19H2,1-3H3,(H,20,21)
InChIKeyZMCFZAIBSDWVPD-UHFFFAOYSA-N
XLogP2.12
TPSA106.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol (CID 146371464) is 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol is COC(N)Cc1nc2cccc(OCCC(C)(C)O)c2c2nc[nH]c12.
What is the InChIKey of 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol?
The InChIKey is ZMCFZAIBSDWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,23)7-8-25-13-6-4-5-11-15(13)17-16(20-10-21-17)12(22-11)9-14(19)24-3/h4-6,10,14,23H,7-9,19H2,1-3H3,(H,20,21).
What are the key properties of 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol?
4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol has a molecular weight of 344.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-2-methoxyethyl)-3H-imidazo[4,5-c]quinolin-9-yl]oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 146371464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).