2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone

C18H14BrNO — CID 114754722

IUPAC2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C18H14BrNO/c1-12-10-17(20-16-5-3-2-4-15(12)16)18(21)11-13-6-8-14(19)9-7-13/h2-10H,11H2,1H3
InChIKeyHZURFZJFNJSCRO-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone

2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone (PubChem CID 114754722) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
PubChem CID114754722
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C18H14BrNO/c1-12-10-17(20-16-5-3-2-4-15(12)16)18(21)11-13-6-8-14(19)9-7-13/h2-10H,11H2,1H3
InChIKeyHZURFZJFNJSCRO-UHFFFAOYSA-N
XLogP4.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone (CID 114754722) is 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone is Cc1cc(C(=O)Cc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone?
The InChIKey is HZURFZJFNJSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-12-10-17(20-16-5-3-2-4-15(12)16)18(21)11-13-6-8-14(19)9-7-13/h2-10H,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone?
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone has a molecular weight of 340.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone is sourced from PubChem (CID 114754722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).