6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione

C16H14FN3O2 — CID 43823397

IUPAC6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESNC(Cc1ccc(F)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)7-12(18)10-3-6-13-14(8-10)20-16(22)15(21)19-13/h1-6,8,12H,7,18H2,(H,19,21)(H,20,22)
InChIKeySZFZVXMXOCPNIM-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.60
Rot. Bonds3

About 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione

6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43823397) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43823397
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESNC(Cc1ccc(F)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)7-12(18)10-3-6-13-14(8-10)20-16(22)15(21)19-13/h1-6,8,12H,7,18H2,(H,19,21)(H,20,22)
InChIKeySZFZVXMXOCPNIM-UHFFFAOYSA-N
XLogP1.60
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823405
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408
5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43186861
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 114519209

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43823397) is 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione is NC(Cc1ccc(F)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is SZFZVXMXOCPNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-4-1-9(2-5-11)7-12(18)10-3-6-13-14(8-10)20-16(22)15(21)19-13/h1-6,8,12H,7,18H2,(H,19,21)(H,20,22).
What are the key properties of 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 299.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).