(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one

C10H9BrFNO — CID 124676941

IUPAC(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccc(Br)c(F)c21
InChIInChI=1S/C10H9BrFNO/c1-5-4-8(14)13-7-3-2-6(11)10(12)9(5)7/h2-3,5H,4H2,1H3,(H,13,14)/t5-/m1/s1
InChIKeyTUBTYXUTIZGOOA-RXMQYKEDSA-N
MW258.09 g/mol
LogP3.03
Rot. Bonds

About (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one

(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 124676941) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID124676941
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccc(Br)c(F)c21
InChIInChI=1S/C10H9BrFNO/c1-5-4-8(14)13-7-3-2-6(11)10(12)9(5)7/h2-3,5H,4H2,1H3,(H,13,14)/t5-/m1/s1
InChIKeyTUBTYXUTIZGOOA-RXMQYKEDSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one (CID 124676941) is (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one is C[C@@H]1CC(=O)Nc2ccc(Br)c(F)c21.
What is the InChIKey of (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TUBTYXUTIZGOOA-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-5-4-8(14)13-7-3-2-6(11)10(12)9(5)7/h2-3,5H,4H2,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one?
(4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.09 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-5-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 124676941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).