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

C18H18ClN5O4 — CID 67889253

IUPAC6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(C(C)(C)O)no3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C18H18ClN5O4/c1-18(2,26)17-21-15(28-22-17)12-14-16(25)23(7-8-27-3)13-10(19)5-4-6-11(13)24(14)9-20-12/h4-6,9,26H,7-8H2,1-3H3
InChIKeyNWUJADPLDCZGCL-UHFFFAOYSA-N
MW403.83 g/mol
LogP2.23
Rot. Bonds5

About 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one

6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889253) has the molecular formula C18H18ClN5O4 and a molecular weight of 403.83 g/mol. Its IUPAC name is 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889253
Molecular FormulaC18H18ClN5O4
Molecular Weight403.83 g/mol
Exact Mass403.10
IUPAC Name6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(C(C)(C)O)no3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C18H18ClN5O4/c1-18(2,26)17-21-15(28-22-17)12-14-16(25)23(7-8-27-3)13-10(19)5-4-6-11(13)24(14)9-20-12/h4-6,9,26H,7-8H2,1-3H3
InChIKeyNWUJADPLDCZGCL-UHFFFAOYSA-N
XLogP2.23
TPSA107.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-c3nc(C(C)(C)O)no3)ncn2c2cccc(Cl)c21.
What is the InChIKey of 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is NWUJADPLDCZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O4/c1-18(2,26)17-21-15(28-22-17)12-14-16(25)23(7-8-27-3)13-10(19)5-4-6-11(13)24(14)9-20-12/h4-6,9,26H,7-8H2,1-3H3.
What are the key properties of 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 403.83 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).