6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one

C12H11BrFNO — CID 163990745

IUPAC6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one
SMILESCC(C)C1=Nc2ccc(Br)c(F)c2CC1=O
InChIInChI=1S/C12H11BrFNO/c1-6(2)12-10(16)5-7-9(15-12)4-3-8(13)11(7)14/h3-4,6H,5H2,1-2H3
InChIKeyRNPWPMZEXVSWEP-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.44
Rot. Bonds1

About 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one

6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one (PubChem CID 163990745) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one
PubChem CID163990745
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one
SMILESCC(C)C1=Nc2ccc(Br)c(F)c2CC1=O
InChIInChI=1S/C12H11BrFNO/c1-6(2)12-10(16)5-7-9(15-12)4-3-8(13)11(7)14/h3-4,6H,5H2,1-2H3
InChIKeyRNPWPMZEXVSWEP-UHFFFAOYSA-N
XLogP3.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one?
The IUPAC name of 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one (CID 163990745) is 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one.
What is the SMILES notation for 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one?
The canonical SMILES for 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one is CC(C)C1=Nc2ccc(Br)c(F)c2CC1=O.
What is the InChIKey of 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one?
The InChIKey is RNPWPMZEXVSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-6(2)12-10(16)5-7-9(15-12)4-3-8(13)11(7)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one?
6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one has a molecular weight of 284.13 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one is sourced from PubChem (CID 163990745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).