2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone

C17H11BrFNO — CID 79699269

IUPAC2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H11BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10H,8H2
InChIKeyXMXOUMVECFYNHF-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.56
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone

2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone (PubChem CID 79699269) has the molecular formula C17H11BrFNO and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
PubChem CID79699269
Molecular FormulaC17H11BrFNO
Molecular Weight344.18 g/mol
Exact Mass343.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H11BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10H,8H2
InChIKeyXMXOUMVECFYNHF-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
CID 116575719
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone (CID 79699269) is 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone is O=C(Cc1cc(F)cc(Br)c1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone?
The InChIKey is XMXOUMVECFYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO/c18-14-6-11(7-15(19)10-14)8-17(21)13-3-4-16-12(9-13)2-1-5-20-16/h1-7,9-10H,8H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone?
2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone has a molecular weight of 344.18 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone is sourced from PubChem (CID 79699269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).