6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one

C15H10BrF2NO — CID 101479515

IUPAC6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2ccccc2)c2c(cc(F)c(Br)c2F)N1
InChIInChI=1S/C15H10BrF2NO/c16-14-10(17)7-11-13(15(14)18)9(6-12(20)19-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20)
InChIKeyRVTNODTWHCUKCN-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.20
Rot. Bonds1

About 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one

6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 101479515) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID101479515
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2ccccc2)c2c(cc(F)c(Br)c2F)N1
InChIInChI=1S/C15H10BrF2NO/c16-14-10(17)7-11-13(15(14)18)9(6-12(20)19-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20)
InChIKeyRVTNODTWHCUKCN-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-diphenyl-3,4-dihydro-1H-quinolin-2-one
CID 66827790
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
7-bromo-8-fluoro-3-phenyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 116739793
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one (CID 101479515) is 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one is O=C1CC(c2ccccc2)c2c(cc(F)c(Br)c2F)N1.
What is the InChIKey of 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RVTNODTWHCUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-14-10(17)7-11-13(15(14)18)9(6-12(20)19-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,19,20).
What are the key properties of 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 338.15 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-difluoro-4-phenyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 101479515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).