[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C22H23ClN6O2 — CID 11797317

IUPAC[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc2N1C(=O)N1CCCC1
InChIInChI=1S/C22H23ClN6O2/c1-22(2)18-17(19-25-20(31-26-19)13-5-6-13)24-12-28(18)15-8-7-14(23)11-16(15)29(22)21(30)27-9-3-4-10-27/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyMICMMQQNEOBTND-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.72
Rot. Bonds2

About [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 11797317) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID11797317
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc2N1C(=O)N1CCCC1
InChIInChI=1S/C22H23ClN6O2/c1-22(2)18-17(19-25-20(31-26-19)13-5-6-13)24-12-28(18)15-8-7-14(23)11-16(15)29(22)21(30)27-9-3-4-10-27/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyMICMMQQNEOBTND-UHFFFAOYSA-N
XLogP4.72
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 11797317) is [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC1(C)c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc2N1C(=O)N1CCCC1.
What is the InChIKey of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MICMMQQNEOBTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-22(2)18-17(19-25-20(31-26-19)13-5-6-13)24-12-28(18)15-8-7-14(23)11-16(15)29(22)21(30)27-9-3-4-10-27/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 438.92 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).