3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C19H21ClN6O2 — CID 22912872

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C(C)(C)C)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN6O2/c1-19(2,3)17-22-16(23-28-17)15-14-9-25(18(27)24(4)5)13-8-11(20)6-7-12(13)26(14)10-21-15/h6-8,10H,9H2,1-5H3
InChIKeyXXUVBRQASATIMU-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.87
Rot. Bonds1

About 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 22912872) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID22912872
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C(C)(C)C)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C19H21ClN6O2/c1-19(2,3)17-22-16(23-28-17)15-14-9-25(18(27)24(4)5)13-8-11(20)6-7-12(13)26(14)10-21-15/h6-8,10H,9H2,1-5H3
InChIKeyXXUVBRQASATIMU-UHFFFAOYSA-N
XLogP3.87
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 22912872) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1Cc2c(-c3noc(C(C)(C)C)n3)ncn2-c2ccc(Cl)cc21.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is XXUVBRQASATIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-19(2,3)17-22-16(23-28-17)15-14-9-25(18(27)24(4)5)13-8-11(20)6-7-12(13)26(14)10-21-15/h6-8,10H,9H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 22912872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).