7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile

C20H19ClN6O3 — CID 67886003

IUPAC7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOCC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2c(C#N)c(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN6O3/c1-10(2)27-16-12(7-22)13(21)5-6-14(16)26-9-23-15(17(26)20(27)28)19-24-18(25-30-19)11(3)8-29-4/h5-6,9-11H,8H2,1-4H3
InChIKeyCCSKNBPQHDKKPA-UHFFFAOYSA-N
MW426.86 g/mol
LogP3.56
Rot. Bonds5

About 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile

7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67886003) has the molecular formula C20H19ClN6O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID67886003
Molecular FormulaC20H19ClN6O3
Molecular Weight426.86 g/mol
Exact Mass426.12
IUPAC Name7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOCC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2c(C#N)c(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN6O3/c1-10(2)27-16-12(7-22)13(21)5-6-14(16)26-9-23-15(17(26)20(27)28)19-24-18(25-30-19)11(3)8-29-4/h5-6,9-11H,8H2,1-4H3
InChIKeyCCSKNBPQHDKKPA-UHFFFAOYSA-N
XLogP3.56
TPSA111.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-chloro-5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67887223
7-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888260
7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56634546
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-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
5-butan-2-yl-6-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887047
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886933
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
6-chloro-3-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887520
6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889253
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889759
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886701

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile?
The IUPAC name of 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile (CID 67886003) is 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile.
What is the SMILES notation for 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile?
The canonical SMILES for 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile is COCC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2c(C#N)c(Cl)ccc23)n1.
What is the InChIKey of 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile?
The InChIKey is CCSKNBPQHDKKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O3/c1-10(2)27-16-12(7-22)13(21)5-6-14(16)26-9-23-15(17(26)20(27)28)19-24-18(25-30-19)11(3)8-29-4/h5-6,9-11H,8H2,1-4H3.
What are the key properties of 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile?
7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 426.86 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67886003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).