6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one

C14H15BrN4O — CID 84610373

IUPAC6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3nc(N)n(C)c3Br)ccc21
InChIInChI=1S/C14H15BrN4O/c1-18-10-5-3-9(7-8(10)4-6-11(18)20)12-13(15)19(2)14(16)17-12/h3,5,7H,4,6H2,1-2H3,(H2,16,17)
InChIKeyAFOMPFWWALYANB-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.34
Rot. Bonds1

About 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 84610373) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID84610373
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3nc(N)n(C)c3Br)ccc21
InChIInChI=1S/C14H15BrN4O/c1-18-10-5-3-9(7-8(10)4-6-11(18)20)12-13(15)19(2)14(16)17-12/h3,5,7H,4,6H2,1-2H3,(H2,16,17)
InChIKeyAFOMPFWWALYANB-UHFFFAOYSA-N
XLogP2.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 84610373) is 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3nc(N)n(C)c3Br)ccc21.
What is the InChIKey of 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is AFOMPFWWALYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-18-10-5-3-9(7-8(10)4-6-11(18)20)12-13(15)19(2)14(16)17-12/h3,5,7H,4,6H2,1-2H3,(H2,16,17).
What are the key properties of 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84610373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).