2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine

C18H23N5O2 — CID 58869093

IUPAC2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1C/C(CC)=N/OC
InChIInChI=1S/C18H23N5O2/c1-4-12(22-24-3)10-23-15(11-25-5-2)21-16-17(23)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20)/b22-12+
InChIKeyKDXQXHHZOYLQCQ-WSDLNYQXSA-N
MW341.42 g/mol
LogP3.12
Rot. Bonds7

About 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 58869093) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID58869093
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1C/C(CC)=N/OC
InChIInChI=1S/C18H23N5O2/c1-4-12(22-24-3)10-23-15(11-25-5-2)21-16-17(23)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20)/b22-12+
InChIKeyKDXQXHHZOYLQCQ-WSDLNYQXSA-N
XLogP3.12
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexan-1-ol
CID 11646081
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine (CID 58869093) is 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1C/C(CC)=N/OC.
What is the InChIKey of 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is KDXQXHHZOYLQCQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-12(22-24-3)10-23-15(11-25-5-2)21-16-17(23)13-8-6-7-9-14(13)20-18(16)19/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20)/b22-12+.
What are the key properties of 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).