7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

C21H14FN5O3 — CID 166336226

IUPAC7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESCc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3cc4ccc(F)cc4[nH]c3=O)n2)c1
InChIInChI=1S/C21H14FN5O3/c1-11-10-23-21(29)27(11)15-4-2-3-13(7-15)18-25-20(30-26-18)16-8-12-5-6-14(22)9-17(12)24-19(16)28/h2-10H,1H3,(H,23,29)(H,24,28)
InChIKeyIQRKQFOMIQQRHK-UHFFFAOYSA-N
MW403.37 g/mol
LogP3.17
Rot. Bonds3

About 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (PubChem CID 166336226) has the molecular formula C21H14FN5O3 and a molecular weight of 403.37 g/mol. Its IUPAC name is 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
PubChem CID166336226
Molecular FormulaC21H14FN5O3
Molecular Weight403.37 g/mol
Exact Mass403.11
IUPAC Name7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESCc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3cc4ccc(F)cc4[nH]c3=O)n2)c1
InChIInChI=1S/C21H14FN5O3/c1-11-10-23-21(29)27(11)15-4-2-3-13(7-15)18-25-20(30-26-18)16-8-12-5-6-14(22)9-17(12)24-19(16)28/h2-10H,1H3,(H,23,29)(H,24,28)
InChIKeyIQRKQFOMIQQRHK-UHFFFAOYSA-N
XLogP3.17
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (CID 166336226) is 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is Cc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3cc4ccc(F)cc4[nH]c3=O)n2)c1.
What is the InChIKey of 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The InChIKey is IQRKQFOMIQQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O3/c1-11-10-23-21(29)27(11)15-4-2-3-13(7-15)18-25-20(30-26-18)16-8-12-5-6-14(22)9-17(12)24-19(16)28/h2-10H,1H3,(H,23,29)(H,24,28).
What are the key properties of 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one has a molecular weight of 403.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[3-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 166336226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).