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

C9H7BrFNO — CID 70980148

IUPAC6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Br)c2F)N1
InChIInChI=1S/C9H7BrFNO/c10-6-2-3-7-5(9(6)11)1-4-8(13)12-7/h2-3H,1,4H2,(H,12,13)
InChIKeyAYPJAYHRTNIPBX-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.47
Rot. Bonds

About 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one

6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70980148) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID70980148
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Br)c2F)N1
InChIInChI=1S/C9H7BrFNO/c10-6-2-3-7-5(9(6)11)1-4-8(13)12-7/h2-3H,1,4H2,(H,12,13)
InChIKeyAYPJAYHRTNIPBX-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 70980148) is 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(Br)c2F)N1.
What is the InChIKey of 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AYPJAYHRTNIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-6-2-3-7-5(9(6)11)1-4-8(13)12-7/h2-3H,1,4H2,(H,12,13).
What are the key properties of 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-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 6-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70980148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).