6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one

C15H14BrN3O — CID 117006871

IUPAC6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(Cc2ccncc2)c2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)13-3-2-12(16)8-14(13)18/h2-8H,9-10H2,1H3
InChIKeyAFVKMUZBNDPSAW-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one

6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one (PubChem CID 117006871) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
PubChem CID117006871
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(Cc2ccncc2)c2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)13-3-2-12(16)8-14(13)18/h2-8H,9-10H2,1H3
InChIKeyAFVKMUZBNDPSAW-UHFFFAOYSA-N
XLogP2.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
CID 117030990
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
methyl 3-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)propanoate
CID 117031021
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
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
1,6-diethyl-4-methyl-3H-quinoxalin-2-one
CID 155066650
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
7-bromo-1-[(4-methylphenyl)methyl]-5H-4,1-benzoxazepin-2-one
CID 71447397
4-benzyl-6-bromo-1,4-benzoxazin-3-one
CID 68733662

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one?
The IUPAC name of 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one (CID 117006871) is 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one is CN1CC(=O)N(Cc2ccncc2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one?
The InChIKey is AFVKMUZBNDPSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-18-10-15(20)19(9-11-4-6-17-7-5-11)13-3-2-12(16)8-14(13)18/h2-8H,9-10H2,1H3.
What are the key properties of 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one?
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one has a molecular weight of 332.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117006871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).