7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one

C19H18FN5O3 — CID 56635421

IUPAC7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H18FN5O3/c1-10-7-12(10)17-22-18(28-23-17)15-16-19(26)24(5-6-27-2)14-8-11(20)3-4-13(14)25(16)9-21-15/h3-4,8-10,12H,5-7H2,1-2H3
InChIKeyKDCLIBFRFUZIQP-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.61
Rot. Bonds5

About 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one

7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56635421) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID56635421
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H18FN5O3/c1-10-7-12(10)17-22-18(28-23-17)15-16-19(26)24(5-6-27-2)14-8-11(20)3-4-13(14)25(16)9-21-15/h3-4,8-10,12H,5-7H2,1-2H3
InChIKeyKDCLIBFRFUZIQP-UHFFFAOYSA-N
XLogP2.61
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one (CID 56635421) is 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-c3nc(C4CC4C)no3)ncn2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is KDCLIBFRFUZIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-10-7-12(10)17-22-18(28-23-17)15-16-19(26)24(5-6-27-2)14-8-11(20)3-4-13(14)25(16)9-21-15/h3-4,8-10,12H,5-7H2,1-2H3.
What are the key properties of 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 383.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56635421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).