1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone

C18H14BrNO — CID 679741

IUPAC1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C18H14BrNO/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-11/h3-10H,1-2H3
InChIKeyDUXKKQUTSAPGGD-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.18
Rot. Bonds2

About 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone

1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone (PubChem CID 679741) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone
PubChem CID679741
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C18H14BrNO/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-11/h3-10H,1-2H3
InChIKeyDUXKKQUTSAPGGD-UHFFFAOYSA-N
XLogP5.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone?
The IUPAC name of 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone (CID 679741) is 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone is CC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1.
What is the InChIKey of 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone?
The InChIKey is DUXKKQUTSAPGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-11-17(12(2)21)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-11/h3-10H,1-2H3.
What are the key properties of 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone?
1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone has a molecular weight of 340.22 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 679741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).