2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline

C23H25N3O — CID 22254436

IUPAC2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3ccccc3c2n1CCOCc1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-3-13-22-25-21-16-24-20-12-8-7-11-19(20)23(21)26(22)14-15-27-17-18-9-5-4-6-10-18/h4-12,16H,2-3,13-15,17H2,1H3
InChIKeyCZYQLBVCCUQJJE-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.14
Rot. Bonds8

About 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline

2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline (PubChem CID 22254436) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
PubChem CID22254436
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3ccccc3c2n1CCOCc1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-3-13-22-25-21-16-24-20-12-8-7-11-19(20)23(21)26(22)14-15-27-17-18-9-5-4-6-10-18/h4-12,16H,2-3,13-15,17H2,1H3
InChIKeyCZYQLBVCCUQJJE-UHFFFAOYSA-N
XLogP5.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
CID 90820432
2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254480
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
CID 164568357
2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254453
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 18760176
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
benzyl-[4-(2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamic acid
CID 135185216
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline (CID 22254436) is 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline is CCCCc1nc2cnc3ccccc3c2n1CCOCc1ccccc1.
What is the InChIKey of 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The InChIKey is CZYQLBVCCUQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-3-13-22-25-21-16-24-20-12-8-7-11-19(20)23(21)26(22)14-15-27-17-18-9-5-4-6-10-18/h4-12,16H,2-3,13-15,17H2,1H3.
What are the key properties of 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline has a molecular weight of 359.47 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 22254436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).