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

C16H13ClFNO — CID 61083566

IUPAC6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C16H13ClFNO/c17-16(11-2-1-3-13(18)9-11)12-4-6-14-10(8-12)5-7-15(20)19-14/h1-4,6,8-9,16H,5,7H2,(H,19,20)
InChIKeyPHUQQIWFOQJPOH-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.04
Rot. Bonds2

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

6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61083566) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61083566
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C16H13ClFNO/c17-16(11-2-1-3-13(18)9-11)12-4-6-14-10(8-12)5-7-15(20)19-14/h1-4,6,8-9,16H,5,7H2,(H,19,20)
InChIKeyPHUQQIWFOQJPOH-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.04
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

7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082022
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107983452
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
6-[chloro-(3-fluorophenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084818
6-[bromo-(3-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61096589
6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085173
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61083566) is 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)c3cccc(F)c3)ccc2N1.
What is the InChIKey of 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PHUQQIWFOQJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-16(11-2-1-3-13(18)9-11)12-4-6-14-10(8-12)5-7-15(20)19-14/h1-4,6,8-9,16H,5,7H2,(H,19,20).
What are the key properties of 6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.74 g/mol, XLogP of 4.04, 2 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]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61083566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).