6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one

C10H5BrF3NO — CID 159297252

IUPAC6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one
SMILESO=C1Cc2cc(Br)ccc2N=C1C(F)(F)F
InChIInChI=1S/C10H5BrF3NO/c11-6-1-2-7-5(3-6)4-8(16)9(15-7)10(12,13)14/h1-3H,4H2
InChIKeyPNUZHKKMSAPPOU-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.21
Rot. Bonds

About 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one

6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one (PubChem CID 159297252) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one
PubChem CID159297252
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one
SMILESO=C1Cc2cc(Br)ccc2N=C1C(F)(F)F
InChIInChI=1S/C10H5BrF3NO/c11-6-1-2-7-5(3-6)4-8(16)9(15-7)10(12,13)14/h1-3H,4H2
InChIKeyPNUZHKKMSAPPOU-UHFFFAOYSA-N
XLogP3.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one?
The IUPAC name of 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one (CID 159297252) is 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one.
What is the SMILES notation for 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one?
The canonical SMILES for 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one is O=C1Cc2cc(Br)ccc2N=C1C(F)(F)F.
What is the InChIKey of 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one?
The InChIKey is PNUZHKKMSAPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-6-1-2-7-5(3-6)4-8(16)9(15-7)10(12,13)14/h1-3H,4H2.
What are the key properties of 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one?
6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one has a molecular weight of 292.05 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one is sourced from PubChem (CID 159297252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).