1-benzyl-3-phenylsulfanylquinoxalin-2-one

C21H16N2OS — CID 162371396

IUPAC1-benzyl-3-phenylsulfanylquinoxalin-2-one
SMILESO=c1c(Sc2ccccc2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21-20(25-17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyYGGKHBHUCWOUPI-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.60
Rot. Bonds4

About 1-benzyl-3-phenylsulfanylquinoxalin-2-one

1-benzyl-3-phenylsulfanylquinoxalin-2-one (PubChem CID 162371396) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-benzyl-3-phenylsulfanylquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-phenylsulfanylquinoxalin-2-one
PubChem CID162371396
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name1-benzyl-3-phenylsulfanylquinoxalin-2-one
SMILESO=c1c(Sc2ccccc2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21-20(25-17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyYGGKHBHUCWOUPI-UHFFFAOYSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one
CID 162371392
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
1-benzyl-2-chlorobenzimidazole
CID 3821987
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylsulfanylquinoxalin-2-one?
The IUPAC name of 1-benzyl-3-phenylsulfanylquinoxalin-2-one (CID 162371396) is 1-benzyl-3-phenylsulfanylquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-phenylsulfanylquinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-phenylsulfanylquinoxalin-2-one is O=c1c(Sc2ccccc2)nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylsulfanylquinoxalin-2-one?
The InChIKey is YGGKHBHUCWOUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21-20(25-17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 1-benzyl-3-phenylsulfanylquinoxalin-2-one?
1-benzyl-3-phenylsulfanylquinoxalin-2-one has a molecular weight of 344.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylsulfanylquinoxalin-2-one is sourced from PubChem (CID 162371396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).