7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide

C20H23ClN6O2 — CID 54419092

IUPAC7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H23ClN6O2/c1-11(2)18-23-17(24-29-18)15-16-20(3,4)27(19(28)25(5)6)14-9-12(21)7-8-13(14)26(16)10-22-15/h7-11H,1-6H3
InChIKeyVZNMDGYEWURXPM-UHFFFAOYSA-N
MW414.90 g/mol
LogP4.44
Rot. Bonds2

About 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide

7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 54419092) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID54419092
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCC(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H23ClN6O2/c1-11(2)18-23-17(24-29-18)15-16-20(3,4)27(19(28)25(5)6)14-9-12(21)7-8-13(14)26(16)10-22-15/h7-11H,1-6H3
InChIKeyVZNMDGYEWURXPM-UHFFFAOYSA-N
XLogP4.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide (CID 54419092) is 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide is CC(C)c1nc(-c2ncn3c2C(C)(C)N(C(=O)N(C)C)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is VZNMDGYEWURXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-11(2)18-23-17(24-29-18)15-16-20(3,4)27(19(28)25(5)6)14-9-12(21)7-8-13(14)26(16)10-22-15/h7-11H,1-6H3.
What are the key properties of 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide?
7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N,4,4-tetramethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 54419092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).