7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline

C22H20FN3O — CID 174522072

IUPAC7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline
SMILESFc1c(N2C=CN(C3CCC3)C2)ccc2ccc(Oc3ccccc3)nc12
InChIInChI=1S/C22H20FN3O/c23-21-19(26-14-13-25(15-26)17-5-4-6-17)11-9-16-10-12-20(24-22(16)21)27-18-7-2-1-3-8-18/h1-3,7-14,17H,4-6,15H2
InChIKeyHCIAOEBLNKWBEB-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.27
Rot. Bonds4

About 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline

7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline (PubChem CID 174522072) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline.

Molecular Properties

Compound Name7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline
PubChem CID174522072
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline
SMILESFc1c(N2C=CN(C3CCC3)C2)ccc2ccc(Oc3ccccc3)nc12
InChIInChI=1S/C22H20FN3O/c23-21-19(26-14-13-25(15-26)17-5-4-6-17)11-9-16-10-12-20(24-22(16)21)27-18-7-2-1-3-8-18/h1-3,7-14,17H,4-6,15H2
InChIKeyHCIAOEBLNKWBEB-UHFFFAOYSA-N
XLogP5.27
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclobutyl-1,4-diazepan-1-yl)-6-(4-fluorophenoxy)pyridine-3-carbaldehyde
CID 118040774
N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
CID 69327155
2-fluoro-4-phenoxypyrimidine
CID 54296073
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
2-phenoxy-5,6,7,8-tetrahydroquinoline
CID 141121654
1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95844190
2-phenoxy-7-(trifluoromethyl)-1,8-naphthyridine
CID 141387441
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
CID 167858499
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
2-fluoro-8-[4-[4-(2-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline;hydrochloride
CID 141191292
(1R,5S)-3-(3-phenoxyphenoxy)-9-azatricyclo[3.3.1.03,9]nonane
CID 163734591

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline?
The IUPAC name of 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline (CID 174522072) is 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline.
What is the SMILES notation for 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline?
The canonical SMILES for 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline is Fc1c(N2C=CN(C3CCC3)C2)ccc2ccc(Oc3ccccc3)nc12.
What is the InChIKey of 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline?
The InChIKey is HCIAOEBLNKWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-21-19(26-14-13-25(15-26)17-5-4-6-17)11-9-16-10-12-20(24-22(16)21)27-18-7-2-1-3-8-18/h1-3,7-14,17H,4-6,15H2.
What are the key properties of 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline?
7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline has a molecular weight of 361.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline is sourced from PubChem (CID 174522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).