1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one

C22H22FNO3 — CID 87102054

IUPAC1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one
SMILESCC1(c2cc(F)c(-n3ccc(=O)c4c(O)cccc43)cc2O)CCCCC1
InChIInChI=1S/C22H22FNO3/c1-22(9-3-2-4-10-22)14-12-15(23)17(13-20(14)27)24-11-8-19(26)21-16(24)6-5-7-18(21)25/h5-8,11-13,25,27H,2-4,9-10H2,1H3
InChIKeyHAKGSUCQUZDLKL-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.76
Rot. Bonds2

About 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one

1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one (PubChem CID 87102054) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one.

Molecular Properties

Compound Name1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one
PubChem CID87102054
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one
SMILESCC1(c2cc(F)c(-n3ccc(=O)c4c(O)cccc43)cc2O)CCCCC1
InChIInChI=1S/C22H22FNO3/c1-22(9-3-2-4-10-22)14-12-15(23)17(13-20(14)27)24-11-8-19(26)21-16(24)6-5-7-18(21)25/h5-8,11-13,25,27H,2-4,9-10H2,1H3
InChIKeyHAKGSUCQUZDLKL-UHFFFAOYSA-N
XLogP4.76
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one?
The IUPAC name of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one (CID 87102054) is 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one.
What is the SMILES notation for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one?
The canonical SMILES for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one is CC1(c2cc(F)c(-n3ccc(=O)c4c(O)cccc43)cc2O)CCCCC1.
What is the InChIKey of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one?
The InChIKey is HAKGSUCQUZDLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-22(9-3-2-4-10-22)14-12-15(23)17(13-20(14)27)24-11-8-19(26)21-16(24)6-5-7-18(21)25/h5-8,11-13,25,27H,2-4,9-10H2,1H3.
What are the key properties of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one?
1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one has a molecular weight of 367.42 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-hydroxyquinolin-4-one is sourced from PubChem (CID 87102054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).