7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one

C21H15ClFN5O3 — CID 56607947

IUPAC7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(CO)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(Cl)cc21
InChIInChI=1S/C21H15ClFN5O3/c1-11(9-29)28-16-8-13(22)4-7-15(16)27-10-24-17(18(27)21(28)30)19-25-20(31-26-19)12-2-5-14(23)6-3-12/h2-8,10-11,29H,9H2,1H3
InChIKeyABUZYBXRGJELPN-UHFFFAOYSA-N
MW439.83 g/mol
LogP3.71
Rot. Bonds4

About 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one

7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56607947) has the molecular formula C21H15ClFN5O3 and a molecular weight of 439.83 g/mol. Its IUPAC name is 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID56607947
Molecular FormulaC21H15ClFN5O3
Molecular Weight439.83 g/mol
Exact Mass439.08
IUPAC Name7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(CO)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(Cl)cc21
InChIInChI=1S/C21H15ClFN5O3/c1-11(9-29)28-16-8-13(22)4-7-15(16)27-10-24-17(18(27)21(28)30)19-25-20(31-26-19)12-2-5-14(23)6-3-12/h2-8,10-11,29H,9H2,1H3
InChIKeyABUZYBXRGJELPN-UHFFFAOYSA-N
XLogP3.71
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887189
7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67889458
6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888110
7-fluoro-3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 57039104
5-butan-2-yl-7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886988
5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
CID 67889460
7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886792
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888360
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
5-butan-2-yl-7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56618738
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(1-methoxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56616607

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one (CID 56607947) is 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one is CC(CO)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ABUZYBXRGJELPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O3/c1-11(9-29)28-16-8-13(22)4-7-15(16)27-10-24-17(18(27)21(28)30)19-25-20(31-26-19)12-2-5-14(23)6-3-12/h2-8,10-11,29H,9H2,1H3.
What are the key properties of 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 439.83 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56607947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).