1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one

C14H20BrN3O — CID 117030990

IUPAC1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC(C)(C)CN)c2ccc(Br)cc21
InChIInChI=1S/C14H20BrN3O/c1-14(2,8-16)9-18-11-5-4-10(15)6-12(11)17(3)7-13(18)19/h4-6H,7-9,16H2,1-3H3
InChIKeyAEFATIJPRPPFRN-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.22
Rot. Bonds3

About 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one

1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one (PubChem CID 117030990) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
PubChem CID117030990
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(CC(C)(C)CN)c2ccc(Br)cc21
InChIInChI=1S/C14H20BrN3O/c1-14(2,8-16)9-18-11-5-4-10(15)6-12(11)17(3)7-13(18)19/h4-6H,7-9,16H2,1-3H3
InChIKeyAEFATIJPRPPFRN-UHFFFAOYSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
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
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871
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
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
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
4-(2-amino-2-methylpropyl)-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117031361
4-(3-amino-2,2-dimethylpropyl)-6-(aminomethyl)-1,4-benzoxazin-3-one
CID 115200043

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one (CID 117030990) is 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one is CN1CC(=O)N(CC(C)(C)CN)c2ccc(Br)cc21.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one?
The InChIKey is AEFATIJPRPPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,8-16)9-18-11-5-4-10(15)6-12(11)17(3)7-13(18)19/h4-6H,7-9,16H2,1-3H3.
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one?
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117030990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).