3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one

C10H11F2N3O — CID 84625224

IUPAC3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cc(F)cc(F)c2NC(=O)C1CN
InChIInChI=1S/C10H11F2N3O/c1-15-7-3-5(11)2-6(12)9(7)14-10(16)8(15)4-13/h2-3,8H,4,13H2,1H3,(H,14,16)
InChIKeyWEMFUBJILQIPNX-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.68
Rot. Bonds1

About 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one

3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84625224) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID84625224
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cc(F)cc(F)c2NC(=O)C1CN
InChIInChI=1S/C10H11F2N3O/c1-15-7-3-5(11)2-6(12)9(7)14-10(16)8(15)4-13/h2-3,8H,4,13H2,1H3,(H,14,16)
InChIKeyWEMFUBJILQIPNX-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84632906
6,8-difluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84621651
10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 115510106
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 115510079
4-ethyl-6,8-difluoro-1,3-dihydroquinoxalin-2-one
CID 115510094
2-ethyl-5,7-difluoro-4H-1,4-benzothiazin-3-one
CID 105356058
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510048
2,4-difluoro-6a,7-dihydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510050
3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one
CID 114994766
(3S,5S)-3-amino-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317511
2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one
CID 130317310

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one (CID 84625224) is 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one is CN1c2cc(F)cc(F)c2NC(=O)C1CN.
What is the InChIKey of 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is WEMFUBJILQIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-15-7-3-5(11)2-6(12)9(7)14-10(16)8(15)4-13/h2-3,8H,4,13H2,1H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one?
3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 227.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84625224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).