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

C20H19ClN6O4 — CID 67887223

IUPAC7-chloro-5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccc(Cl)c(C#N)c21
InChIInChI=1S/C20H19ClN6O4/c1-11(9-30-3)19-24-18(25-31-19)15-17-20(28)26(6-7-29-2)16-12(8-22)13(21)4-5-14(16)27(17)10-23-15/h4-5,10-11H,6-7,9H2,1-3H3
InChIKeyKUQPJCDQKFTSSG-UHFFFAOYSA-N
MW442.86 g/mol
LogP2.62
Rot. Bonds7

About 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

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 (PubChem CID 67887223) has the molecular formula C20H19ClN6O4 and a molecular weight of 442.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-chloro-5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID67887223
Molecular FormulaC20H19ClN6O4
Molecular Weight442.86 g/mol
Exact Mass442.12
IUPAC Name7-chloro-5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccc(Cl)c(C#N)c21
InChIInChI=1S/C20H19ClN6O4/c1-11(9-30-3)19-24-18(25-31-19)15-17-20(28)26(6-7-29-2)16-12(8-22)13(21)4-5-14(16)27(17)10-23-15/h4-5,10-11H,6-7,9H2,1-3H3
InChIKeyKUQPJCDQKFTSSG-UHFFFAOYSA-N
XLogP2.62
TPSA120.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886449
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
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-[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
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
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methoxyethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889497
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-fluoro-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 67888335
7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67887036
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccc(Cl)c(C#N)c21.
What is the InChIKey of 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?
The InChIKey is KUQPJCDQKFTSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O4/c1-11(9-30-3)19-24-18(25-31-19)15-17-20(28)26(6-7-29-2)16-12(8-22)13(21)4-5-14(16)27(17)10-23-15/h4-5,10-11H,6-7,9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 442.86 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67887223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).