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

C15H20BrN3O — CID 117031054

IUPAC4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(C2CCC(N)CC2)c2ccc(Br)cc21
InChIInChI=1S/C15H20BrN3O/c1-18-14-8-10(16)2-7-13(14)19(9-15(18)20)12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3
InChIKeyFXGKIJHYTMDZAW-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.50
Rot. Bonds1

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

4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one (PubChem CID 117031054) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
PubChem CID117031054
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(C2CCC(N)CC2)c2ccc(Br)cc21
InChIInChI=1S/C15H20BrN3O/c1-18-14-8-10(16)2-7-13(14)19(9-15(18)20)12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3
InChIKeyFXGKIJHYTMDZAW-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007213
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
2-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)acetonitrile
CID 117031070
2-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)acetic acid
CID 117031057
4-(3-aminobutyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
CID 117031039
6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one
CID 117006406
6-bromo-1-methyl-4-(2-methylpropyl)-3H-quinoxalin-2-one
CID 117006407
4-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)butanoic acid
CID 117031059
6-bromo-1-methyl-4-(3-oxobutyl)-3H-quinoxalin-2-one
CID 117030471
1-(2-aminoacetyl)-7-bromo-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84645410
6-bromo-4-cyclobutyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 175371087
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one (CID 117031054) is 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one is CN1C(=O)CN(C2CCC(N)CC2)c2ccc(Br)cc21.
What is the InChIKey of 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one?
The InChIKey is FXGKIJHYTMDZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-18-14-8-10(16)2-7-13(14)19(9-15(18)20)12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3.
What are the key properties of 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one?
4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117031054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).