3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one

C15H12FN3O — CID 47000996

IUPAC3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NCc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-17-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyQYDNHKQOIFMVKN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.67
Rot. Bonds3

About 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one

3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one (PubChem CID 47000996) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
PubChem CID47000996
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NCc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-17-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyQYDNHKQOIFMVKN-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
CID 47001610
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(4-fluorophenyl)methyl]-7H-purine-2,6-diamine
CID 142742326
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
3-[2-[(4-fluorophenyl)methylamino]phenyl]-1H-benzo[g]quinoxalin-2-one
CID 4213925
3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
CID 177485359
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
CID 166991964
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one (CID 47000996) is 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one?
The InChIKey is QYDNHKQOIFMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-17-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one?
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one has a molecular weight of 269.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one is sourced from PubChem (CID 47000996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).