3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C22H18N6O2 — CID 10787030

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C22H18N6O2/c29-22(24-15-6-2-1-3-7-15)27-12-18-19(20-25-21(30-26-20)14-10-11-14)23-13-28(18)17-9-5-4-8-16(17)27/h1-9,13-14H,10-12H2,(H,24,29)
InChIKeyXCLMQZRJDXYFAC-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.35
Rot. Bonds3

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10787030) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10787030
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C22H18N6O2/c29-22(24-15-6-2-1-3-7-15)27-12-18-19(20-25-21(30-26-20)14-10-11-14)23-13-28(18)17-9-5-4-8-16(17)27/h1-9,13-14H,10-12H2,(H,24,29)
InChIKeyXCLMQZRJDXYFAC-UHFFFAOYSA-N
XLogP4.35
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10787030) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is O=C(Nc1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is XCLMQZRJDXYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-22(24-15-6-2-1-3-7-15)27-12-18-19(20-25-21(30-26-20)14-10-11-14)23-13-28(18)17-9-5-4-8-16(17)27/h1-9,13-14H,10-12H2,(H,24,29).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10787030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).