4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid

C19H18FN3O2 — CID 166615913

IUPAC4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2ccnc2-c2ccc3cccc(F)c3n2)CC1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-12-6-9-16(22-17(12)15)18-21-10-11-23(18)14-7-4-13(5-8-14)19(24)25/h1-3,6,9-11,13-14H,4-5,7-8H2,(H,24,25)
InChIKeyBCDQBEGUUKOXBV-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.05
Rot. Bonds3

About 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid

4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 166615913) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID166615913
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2ccnc2-c2ccc3cccc(F)c3n2)CC1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-12-6-9-16(22-17(12)15)18-21-10-11-23(18)14-7-4-13(5-8-14)19(24)25/h1-3,6,9-11,13-14H,4-5,7-8H2,(H,24,25)
InChIKeyBCDQBEGUUKOXBV-UHFFFAOYSA-N
XLogP4.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,6-dichlorophenyl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619085
(3S,3aR,6R,6aR)-3-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;formic acid
CID 166598620
acetic acid;4-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938294
[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 146043174
4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323
(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
CID 110464500
1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146038802
3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 146044437
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619622

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid (CID 166615913) is 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2ccnc2-c2ccc3cccc(F)c3n2)CC1.
What is the InChIKey of 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is BCDQBEGUUKOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-3-1-2-12-6-9-16(22-17(12)15)18-21-10-11-23(18)14-7-4-13(5-8-14)19(24)25/h1-3,6,9-11,13-14H,4-5,7-8H2,(H,24,25).
What are the key properties of 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166615913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).