2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone

C17H13BrN2O — CID 114754739

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2cncc(Br)c2)nc2ccccc12
InChIInChI=1S/C17H13BrN2O/c1-11-6-16(20-15-5-3-2-4-14(11)15)17(21)8-12-7-13(18)10-19-9-12/h2-7,9-10H,8H2,1H3
InChIKeyZHHVHKMIOIVXTN-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.13
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone (PubChem CID 114754739) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
PubChem CID114754739
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2cncc(Br)c2)nc2ccccc12
InChIInChI=1S/C17H13BrN2O/c1-11-6-16(20-15-5-3-2-4-14(11)15)17(21)8-12-7-13(18)10-19-9-12/h2-7,9-10H,8H2,1H3
InChIKeyZHHVHKMIOIVXTN-UHFFFAOYSA-N
XLogP4.13
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 25142799
Meridine
CID 72473
11-Hydroxy ascididemin
CID 393838
Pfk-158
CID 71730058
1-(2,7-Naphthyridin-3-yl)ethanone
CID 155795
2-Pyridyl(2-quinolyl)methanone
CID 2817968
2-Bromoleptoclinidinone
CID 378074
Benzo(b)pyrido(4,3,2-de)(1,7)phenanthrolin-8-one
CID 9860577
2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884695
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
Benzosampangine
CID 383960
Neoamphimedine
CID 10041259

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone (CID 114754739) is 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone is Cc1cc(C(=O)Cc2cncc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone?
The InChIKey is ZHHVHKMIOIVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-6-16(20-15-5-3-2-4-14(11)15)17(21)8-12-7-13(18)10-19-9-12/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone has a molecular weight of 341.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone is sourced from PubChem (CID 114754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).