2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone

C16H11BrN2O — CID 104798887

IUPAC2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1ccc(Br)cn1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11BrN2O/c17-12-6-7-13(18-10-12)9-16(20)15-8-5-11-3-1-2-4-14(11)19-15/h1-8,10H,9H2
InChIKeyLNACEAOOTNTPHG-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.82
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone

2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone (PubChem CID 104798887) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
PubChem CID104798887
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1ccc(Br)cn1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11BrN2O/c17-12-6-7-13(18-10-12)9-16(20)15-8-5-11-3-1-2-4-14(11)19-15/h1-8,10H,9H2
InChIKeyLNACEAOOTNTPHG-UHFFFAOYSA-N
XLogP3.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
CID 79732159
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 104799331
2-amino-1-quinolin-2-ylethanone
CID 23532024
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-(4-ethylphenyl)-1-quinolin-2-ylethanone
CID 63409967
2-(4-chlorophenyl)-1-quinolin-2-ylethanone
CID 63222375
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
CID 63222293
2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
CID 105405253
1-quinolin-2-ylbutan-1-one
CID 14895778
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone (CID 104798887) is 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone is O=C(Cc1ccc(Br)cn1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone?
The InChIKey is LNACEAOOTNTPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-6-7-13(18-10-12)9-16(20)15-8-5-11-3-1-2-4-14(11)19-15/h1-8,10H,9H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone?
2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone has a molecular weight of 327.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 104798887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).