6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one

C21H21N5O2 — CID 53065185

IUPAC6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc21
InChIInChI=1S/C21H21N5O2/c1-5-26-18-10-9-14(12-17(18)22-13(2)21(26)27)19-23-20(28-24-19)15-7-6-8-16(11-15)25(3)4/h6-12H,5H2,1-4H3
InChIKeyHOQFGMXNYUEZBC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.51
Rot. Bonds4

About 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one

6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one (PubChem CID 53065185) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one
PubChem CID53065185
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc21
InChIInChI=1S/C21H21N5O2/c1-5-26-18-10-9-14(12-17(18)22-13(2)21(26)27)19-23-20(28-24-19)15-7-6-8-16(11-15)25(3)4/h6-12H,5H2,1-4H3
InChIKeyHOQFGMXNYUEZBC-UHFFFAOYSA-N
XLogP3.51
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one?
The IUPAC name of 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one (CID 53065185) is 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one?
The canonical SMILES for 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one is CCn1c(=O)c(C)nc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc21.
What is the InChIKey of 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one?
The InChIKey is HOQFGMXNYUEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-5-26-18-10-9-14(12-17(18)22-13(2)21(26)27)19-23-20(28-24-19)15-7-6-8-16(11-15)25(3)4/h6-12H,5H2,1-4H3.
What are the key properties of 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one?
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 53065185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).