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

C15H12FN3O2 — CID 43723400

IUPAC6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NCc3cccc(F)c3)cc2[nH]c1=O
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyAMIBSSBSQYDVJM-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.97
Rot. Bonds3

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

6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43723400) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43723400
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NCc3cccc(F)c3)cc2[nH]c1=O
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyAMIBSSBSQYDVJM-UHFFFAOYSA-N
XLogP1.97
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418
9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167977
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 63277343
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060219
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (CID 43723400) is 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NCc3cccc(F)c3)cc2[nH]c1=O.
What is the InChIKey of 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is AMIBSSBSQYDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)14(20)18-12/h1-7,17H,8H2,(H,18,20)(H,19,21).
What are the key properties of 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 285.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43723400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).