3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one

C18H16BrNO2 — CID 46240066

IUPAC3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one
SMILESCCn1cc(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C18H16BrNO2/c1-3-20-11-16(12-4-6-13(19)7-5-12)18(21)15-9-8-14(22-2)10-17(15)20/h4-11H,3H2,1-2H3
InChIKeyPADZPGFTTPXHRS-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.46
Rot. Bonds3

About 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one

3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one (PubChem CID 46240066) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one
PubChem CID46240066
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one
SMILESCCn1cc(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C18H16BrNO2/c1-3-20-11-16(12-4-6-13(19)7-5-12)18(21)15-9-8-14(22-2)10-17(15)20/h4-11H,3H2,1-2H3
InChIKeyPADZPGFTTPXHRS-UHFFFAOYSA-N
XLogP4.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one (CID 46240066) is 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one is CCn1cc(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21.
What is the InChIKey of 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one?
The InChIKey is PADZPGFTTPXHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-3-20-11-16(12-4-6-13(19)7-5-12)18(21)15-9-8-14(22-2)10-17(15)20/h4-11H,3H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one?
3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one has a molecular weight of 358.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-ethyl-7-methoxyquinolin-4-one is sourced from PubChem (CID 46240066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).