6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C9H7BrFNO — CID 43457689

IUPAC6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(F)cc2N1
InChIInChI=1S/C9H7BrFNO/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13)
InChIKeyQHBQAFBBDSHWLQ-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.47
Rot. Bonds

About 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457689) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457689
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(F)cc2N1
InChIInChI=1S/C9H7BrFNO/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13)
InChIKeyQHBQAFBBDSHWLQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
7-bromo-8-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290408
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
6-[(5-bromofuran-2-yl)-chloromethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61085252
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457689) is 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Br)c(F)cc2N1.
What is the InChIKey of 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QHBQAFBBDSHWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13).
What are the key properties of 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 244.06 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).