2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide

C18H15BrN2O2 — CID 1310883

IUPAC2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
SMILESCc1cc(=O)c2cc(Br)ccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c1-12-9-17(22)15-10-13(19)7-8-16(15)21(12)11-18(23)20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyUAJQINDEZJRGII-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.71
Rot. Bonds3

About 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide

2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide (PubChem CID 1310883) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
PubChem CID1310883
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
SMILESCc1cc(=O)c2cc(Br)ccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c1-12-9-17(22)15-10-13(19)7-8-16(15)21(12)11-18(23)20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyUAJQINDEZJRGII-UHFFFAOYSA-N
XLogP3.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide (CID 1310883) is 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide is Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide?
The InChIKey is UAJQINDEZJRGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12-9-17(22)15-10-13(19)7-8-16(15)21(12)11-18(23)20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide?
2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide has a molecular weight of 371.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 1310883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).