8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one

C9H7BrFNO — CID 130051331

IUPAC8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(F)ccc(Br)c2N1
InChIInChI=1S/C9H7BrFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h2-3H,1,4H2,(H,12,13)
InChIKeyAIZZHYOWBGTZNA-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.47
Rot. Bonds

About 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one

8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 130051331) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID130051331
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(F)ccc(Br)c2N1
InChIInChI=1S/C9H7BrFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h2-3H,1,4H2,(H,12,13)
InChIKeyAIZZHYOWBGTZNA-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-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
CID 131343889
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
8-bromo-5-fluoro-3,4-dihydrochromen-2-one
CID 83397294
(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
CID 151634733
8-bromo-5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904960
8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 118904303
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 177274333
4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049276
8-bromo-5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21242981
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 130051331) is 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(F)ccc(Br)c2N1.
What is the InChIKey of 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AIZZHYOWBGTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h2-3H,1,4H2,(H,12,13).
What are the key properties of 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
8-bromo-5-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 8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 130051331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).