3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride

C16H11ClFN5O2 — CID 10570476

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride
SMILESO=C(Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C16H11ClFN5O2/c17-16(24)22-6-12-13(14-20-15(25-21-14)8-1-2-8)19-7-23(12)10-4-3-9(18)5-11(10)22/h3-5,7-8H,1-2,6H2
InChIKeyHTHPYPXQEYYQFU-UHFFFAOYSA-N
MW359.75 g/mol
LogP3.62
Rot. Bonds2

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride (PubChem CID 10570476) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride
PubChem CID10570476
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride
SMILESO=C(Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C16H11ClFN5O2/c17-16(24)22-6-12-13(14-20-15(25-21-14)8-1-2-8)19-7-23(12)10-4-3-9(18)5-11(10)22/h3-5,7-8H,1-2,6H2
InChIKeyHTHPYPXQEYYQFU-UHFFFAOYSA-N
XLogP3.62
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-imidazol-1-ylmethanone
CID 22912860
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
CID 22912904
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10519853
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methoxy-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 15268196
2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone
CID 139878714
[6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 10501746
7-bromo-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10340921
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
CID 15268199
3-(14-chloro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
CID 10316796
7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 157329052
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474
[3-(1,3-benzoxazol-2-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912965

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride (CID 10570476) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride is O=C(Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride?
The InChIKey is HTHPYPXQEYYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c17-16(24)22-6-12-13(14-20-15(25-21-14)8-1-2-8)19-7-23(12)10-4-3-9(18)5-11(10)22/h3-5,7-8H,1-2,6H2.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride has a molecular weight of 359.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 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)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride is sourced from PubChem (CID 10570476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).