6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C16H12ClF2NO — CID 61086278

IUPAC6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3ccccc3F)c(F)cc2N1
InChIInChI=1S/C16H12ClF2NO/c17-16(10-3-1-2-4-12(10)18)11-7-9-5-6-15(21)20-14(9)8-13(11)19/h1-4,7-8,16H,5-6H2,(H,20,21)
InChIKeyHHRMKKWFIHWSRS-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.18
Rot. Bonds2

About 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61086278) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID61086278
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3ccccc3F)c(F)cc2N1
InChIInChI=1S/C16H12ClF2NO/c17-16(10-3-1-2-4-12(10)18)11-7-9-5-6-15(21)20-14(9)8-13(11)19/h1-4,7-8,16H,5-6H2,(H,20,21)
InChIKeyHHRMKKWFIHWSRS-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro-(3-methylphenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086076
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
6-[(5-bromofuran-2-yl)-chloromethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61085252
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-[bromo-(3-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61096589
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[bromo-(3-chlorothiophen-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 80642266
6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62215355
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 61086278) is 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)c3ccccc3F)c(F)cc2N1.
What is the InChIKey of 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HHRMKKWFIHWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-16(10-3-1-2-4-12(10)18)11-7-9-5-6-15(21)20-14(9)8-13(11)19/h1-4,7-8,16H,5-6H2,(H,20,21).
What are the key properties of 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.73 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61086278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).