4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one

C15H14FNO2 — CID 155221485

IUPAC4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H14FNO2/c16-10-1-2-14-12(9-10)13(5-8-17-14)15(19)6-3-11(18)4-7-15/h1-2,5,8-9,19H,3-4,6-7H2
InChIKeyWODWRIPWGBHWIZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.70
Rot. Bonds1

About 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one

4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one (PubChem CID 155221485) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
PubChem CID155221485
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H14FNO2/c16-10-1-2-14-12(9-10)13(5-8-17-14)15(19)6-3-11(18)4-7-15/h1-2,5,8-9,19H,3-4,6-7H2
InChIKeyWODWRIPWGBHWIZ-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
CID 145078404
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
CID 139509915
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
CID 142597322
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
6-fluoro-4-propan-2-ylquinoline
CID 83527062
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
15-fluoro-4-(1-hydroxy-4-oxocyclohexyl)-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
CID 67376167
3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide
CID 171472450

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one (CID 155221485) is 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one?
The InChIKey is WODWRIPWGBHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-10-1-2-14-12(9-10)13(5-8-17-14)15(19)6-3-11(18)4-7-15/h1-2,5,8-9,19H,3-4,6-7H2.
What are the key properties of 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one?
4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one has a molecular weight of 259.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 155221485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).