6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one

C23H16N4O4S — CID 155511899

IUPAC6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4nnc(-c5ccccc5)o4)c(=O)c3c2)cc1
InChIInChI=1S/C23H16N4O4S/c1-32(29,30)17-9-7-14(8-10-17)16-11-18-20(28)19(13-25-21(18)24-12-16)23-27-26-22(31-23)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25,28)
InChIKeyLROQKBWOCHZFFC-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.71
Rot. Bonds4

About 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one

6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 155511899) has the molecular formula C23H16N4O4S and a molecular weight of 444.47 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID155511899
Molecular FormulaC23H16N4O4S
Molecular Weight444.47 g/mol
Exact Mass444.09
IUPAC Name6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4nnc(-c5ccccc5)o4)c(=O)c3c2)cc1
InChIInChI=1S/C23H16N4O4S/c1-32(29,30)17-9-7-14(8-10-17)16-11-18-20(28)19(13-25-21(18)24-12-16)23-27-26-22(31-23)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25,28)
InChIKeyLROQKBWOCHZFFC-UHFFFAOYSA-N
XLogP3.71
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylsulfonylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 155556661
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 16722696
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 1362676
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
tert-butyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122602748
4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098108
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one (CID 155511899) is 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one is CS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4nnc(-c5ccccc5)o4)c(=O)c3c2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is LROQKBWOCHZFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4S/c1-32(29,30)17-9-7-14(8-10-17)16-11-18-20(28)19(13-25-21(18)24-12-16)23-27-26-22(31-23)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,25,28).
What are the key properties of 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one?
6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 444.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155511899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).