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

C22H21F2NO2 — CID 87101572

IUPAC6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one
SMILESCC1(c2cc(F)c(-n3ccc(=O)c4cc(F)ccc43)cc2O)CCCCC1
InChIInChI=1S/C22H21F2NO2/c1-22(8-3-2-4-9-22)16-12-17(24)19(13-21(16)27)25-10-7-20(26)15-11-14(23)5-6-18(15)25/h5-7,10-13,27H,2-4,8-9H2,1H3
InChIKeyVMHWJTMMEQMTBE-UHFFFAOYSA-N
MW369.41 g/mol
LogP5.20
Rot. Bonds2

About 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one

6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one (PubChem CID 87101572) has the molecular formula C22H21F2NO2 and a molecular weight of 369.41 g/mol. Its IUPAC name is 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one
PubChem CID87101572
Molecular FormulaC22H21F2NO2
Molecular Weight369.41 g/mol
Exact Mass369.15
IUPAC Name6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one
SMILESCC1(c2cc(F)c(-n3ccc(=O)c4cc(F)ccc43)cc2O)CCCCC1
InChIInChI=1S/C22H21F2NO2/c1-22(8-3-2-4-9-22)16-12-17(24)19(13-21(16)27)25-10-7-20(26)15-11-14(23)5-6-18(15)25/h5-7,10-13,27H,2-4,8-9H2,1H3
InChIKeyVMHWJTMMEQMTBE-UHFFFAOYSA-N
XLogP5.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one?
The IUPAC name of 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one (CID 87101572) is 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one.
What is the SMILES notation for 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one?
The canonical SMILES for 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one is CC1(c2cc(F)c(-n3ccc(=O)c4cc(F)ccc43)cc2O)CCCCC1.
What is the InChIKey of 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one?
The InChIKey is VMHWJTMMEQMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO2/c1-22(8-3-2-4-9-22)16-12-17(24)19(13-21(16)27)25-10-7-20(26)15-11-14(23)5-6-18(15)25/h5-7,10-13,27H,2-4,8-9H2,1H3.
What are the key properties of 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one?
6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one has a molecular weight of 369.41 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]quinolin-4-one is sourced from PubChem (CID 87101572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).