3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one

C18H20FN3O — CID 120613481

IUPAC3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccccc2N)c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O/c1-21-10-11-22(16-8-7-14(19)12-17(16)21)18(23)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11,20H2,1H3
InChIKeyNNSIQGWZVXRFCZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.82
Rot. Bonds3

About 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (PubChem CID 120613481) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
PubChem CID120613481
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccccc2N)c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O/c1-21-10-11-22(16-8-7-14(19)12-17(16)21)18(23)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11,20H2,1H3
InChIKeyNNSIQGWZVXRFCZ-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
CID 71993544
7-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one;dihydrochloride
CID 119899696
3-(2-aminophenyl)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one;dihydrochloride
CID 120613000
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111540753
3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
2-(3-fluorophenoxy)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 110715131
3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120610859
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (CID 120613481) is 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is CN1CCN(C(=O)CCc2ccccc2N)c2ccc(F)cc21.
What is the InChIKey of 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The InChIKey is NNSIQGWZVXRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-10-11-22(16-8-7-14(19)12-17(16)21)18(23)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11,20H2,1H3.
What are the key properties of 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one has a molecular weight of 313.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is sourced from PubChem (CID 120613481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).