6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one

C22H15ClFNO — CID 15484968

IUPAC6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(C(Cl)c3cccc(F)c3)ccc2[nH]1
InChIInChI=1S/C22H15ClFNO/c23-22(15-7-4-8-17(24)11-15)16-9-10-20-19(12-16)18(13-21(26)25-20)14-5-2-1-3-6-14/h1-13,22H,(H,25,26)
InChIKeyQMUNMQPQFYKVMT-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.66
Rot. Bonds3

About 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one

6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 15484968) has the molecular formula C22H15ClFNO and a molecular weight of 363.82 g/mol. Its IUPAC name is 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one
PubChem CID15484968
Molecular FormulaC22H15ClFNO
Molecular Weight363.82 g/mol
Exact Mass363.08
IUPAC Name6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1cc(-c2ccccc2)c2cc(C(Cl)c3cccc(F)c3)ccc2[nH]1
InChIInChI=1S/C22H15ClFNO/c23-22(15-7-4-8-17(24)11-15)16-9-10-20-19(12-16)18(13-21(26)25-20)14-5-2-1-3-6-14/h1-13,22H,(H,25,26)
InChIKeyQMUNMQPQFYKVMT-UHFFFAOYSA-N
XLogP5.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one (CID 15484968) is 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one is O=c1cc(-c2ccccc2)c2cc(C(Cl)c3cccc(F)c3)ccc2[nH]1.
What is the InChIKey of 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is QMUNMQPQFYKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO/c23-22(15-7-4-8-17(24)11-15)16-9-10-20-19(12-16)18(13-21(26)25-20)14-5-2-1-3-6-14/h1-13,22H,(H,25,26).
What are the key properties of 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one?
6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 363.82 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(3-fluorophenyl)methyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 15484968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).