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

C17H15BrFNO — CID 61098523

IUPAC6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)Cc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H15BrFNO/c18-15(9-11-1-5-14(19)6-2-11)12-3-7-16-13(10-12)4-8-17(21)20-16/h1-3,5-7,10,15H,4,8-9H2,(H,20,21)
InChIKeyAEAPPBWKWLBFEC-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.39
Rot. Bonds3

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

6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61098523) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61098523
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)Cc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H15BrFNO/c18-15(9-11-1-5-14(19)6-2-11)12-3-7-16-13(10-12)4-8-17(21)20-16/h1-3,5-7,10,15H,4,8-9H2,(H,20,21)
InChIKeyAEAPPBWKWLBFEC-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.39
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

5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 61095920
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[bromo-(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79211839
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566

Frequently Asked Questions

What is the IUPAC name of 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 61098523) is 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Br)Cc3ccc(F)cc3)ccc2N1.
What is the InChIKey of 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AEAPPBWKWLBFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-15(9-11-1-5-14(19)6-2-11)12-3-7-16-13(10-12)4-8-17(21)20-16/h1-3,5-7,10,15H,4,8-9H2,(H,20,21).
What are the key properties of 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61098523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).