1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea

C26H40N6O3 — CID 91034544

IUPAC1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea
SMILESCCCc1c(OCCCCCCN(C(N)=O)C(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C26H40N6O3/c1-5-11-18-20(35-15-10-8-7-9-14-32(17(3)4)26(28)33)13-12-19-22(18)23-24(25(27)29-19)31-21(30-23)16-34-6-2/h12-13,17H,5-11,14-16H2,1-4H3,(H2,27,29)(H2,28,33)(H,30,31)
InChIKeyRDJQFQBBUBAQFU-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.91
Rot. Bonds14

About 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea

1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea (PubChem CID 91034544) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea
PubChem CID91034544
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC Name1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea
SMILESCCCc1c(OCCCCCCN(C(N)=O)C(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12
InChIInChI=1S/C26H40N6O3/c1-5-11-18-20(35-15-10-8-7-9-14-32(17(3)4)26(28)33)13-12-19-22(18)23-24(25(27)29-19)31-21(30-23)16-34-6-2/h12-13,17H,5-11,14-16H2,1-4H3,(H2,27,29)(H2,28,33)(H,30,31)
InChIKeyRDJQFQBBUBAQFU-UHFFFAOYSA-N
XLogP4.91
TPSA132.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea?
The IUPAC name of 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea (CID 91034544) is 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea?
The canonical SMILES for 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea is CCCc1c(OCCCCCCN(C(N)=O)C(C)C)ccc2nc(N)c3[nH]c(COCC)nc3c12.
What is the InChIKey of 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea?
The InChIKey is RDJQFQBBUBAQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O3/c1-5-11-18-20(35-15-10-8-7-9-14-32(17(3)4)26(28)33)13-12-19-22(18)23-24(25(27)29-19)31-21(30-23)16-34-6-2/h12-13,17H,5-11,14-16H2,1-4H3,(H2,27,29)(H2,28,33)(H,30,31).
What are the key properties of 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea?
1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea has a molecular weight of 484.65 g/mol, XLogP of 4.91, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-amino-2-(ethoxymethyl)-9-propyl-3H-imidazo[4,5-c]quinolin-8-yl]oxy]hexyl]-1-propan-2-ylurea is sourced from PubChem (CID 91034544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).