7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one

C15H20BrN3O — CID 117030394

IUPAC7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC2CCNCC2)c2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)14-8-12(16)2-3-13(14)18/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeySDMYTGXUYXXLTG-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.23
Rot. Bonds2

About 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one

7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one (PubChem CID 117030394) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
PubChem CID117030394
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC2CCNCC2)c2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)14-8-12(16)2-3-13(14)18/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeySDMYTGXUYXXLTG-UHFFFAOYSA-N
XLogP2.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 84645182
4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
CID 117030719
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117030329
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
CID 117030990
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871
methyl 3-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)propanoate
CID 117031021

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one (CID 117030394) is 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one is CN1CC(=O)N(CC2CCNCC2)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The InChIKey is SDMYTGXUYXXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)14-8-12(16)2-3-13(14)18/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117030394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).