5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole

C17H14ClN5O2 — CID 67889552

IUPAC5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCc1c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(Cl)cc2[n+]1[O-]
InChIInChI=1S/C17H14ClN5O2/c1-8-5-11(8)16-20-17(25-21-16)14-15-9(2)23(24)13-6-10(18)3-4-12(13)22(15)7-19-14/h3-4,6-8,11H,5H2,1-2H3
InChIKeyNXHZETWVRCLYJF-UHFFFAOYSA-N
MW355.79 g/mol
LogP3.26
Rot. Bonds2

About 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole

5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 67889552) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole
PubChem CID67889552
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCc1c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(Cl)cc2[n+]1[O-]
InChIInChI=1S/C17H14ClN5O2/c1-8-5-11(8)16-20-17(25-21-16)14-15-9(2)23(24)13-6-10(18)3-4-12(13)22(15)7-19-14/h3-4,6-8,11H,5H2,1-2H3
InChIKeyNXHZETWVRCLYJF-UHFFFAOYSA-N
XLogP3.26
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
3-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 67887433
5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 67887431
1-[5-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-ol
CID 67886842
7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 56635421
4-chloro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65422097
3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 67887376
7-chloro-3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile
CID 67886688
3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole
CID 19817949
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one
CID 19980315
3-cyclopropyl-5-imidazo[1,5-a]quinolin-3-yl-1,2,4-oxadiazole
CID 67925365
4-fluoro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65421875

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole (CID 67889552) is 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole is Cc1c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(Cl)cc2[n+]1[O-].
What is the InChIKey of 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is NXHZETWVRCLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-8-5-11(8)16-20-17(25-21-16)14-15-9(2)23(24)13-6-10(18)3-4-12(13)22(15)7-19-14/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole?
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 355.79 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67889552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).