5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

C22H24ClN7O2 — CID 67889769

IUPAC5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(c2nc(-c3ncn4c3c(=O)n(C3CCCN3CCN)c3cc(Cl)ccc34)no2)CC1
InChIInChI=1S/C22H24ClN7O2/c1-22(6-7-22)21-26-19(27-32-21)17-18-20(31)30(16-3-2-9-28(16)10-8-24)15-11-13(23)4-5-14(15)29(18)12-25-17/h4-5,11-12,16H,2-3,6-10,24H2,1H3
InChIKeyFWJPIXQFVREYJP-UHFFFAOYSA-N
MW453.93 g/mol
LogP2.96
Rot. Bonds5

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

5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889769) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889769
Molecular FormulaC22H24ClN7O2
Molecular Weight453.93 g/mol
Exact Mass453.17
IUPAC Name5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(c2nc(-c3ncn4c3c(=O)n(C3CCCN3CCN)c3cc(Cl)ccc34)no2)CC1
InChIInChI=1S/C22H24ClN7O2/c1-22(6-7-22)21-26-19(27-32-21)17-18-20(31)30(16-3-2-9-28(16)10-8-24)15-11-13(23)4-5-14(15)29(18)12-25-17/h4-5,11-12,16H,2-3,6-10,24H2,1H3
InChIKeyFWJPIXQFVREYJP-UHFFFAOYSA-N
XLogP2.96
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67889769) is 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is CC1(c2nc(-c3ncn4c3c(=O)n(C3CCCN3CCN)c3cc(Cl)ccc34)no2)CC1.
What is the InChIKey of 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is FWJPIXQFVREYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-22(6-7-22)21-26-19(27-32-21)17-18-20(31)30(16-3-2-9-28(16)10-8-24)15-11-13(23)4-5-14(15)29(18)12-25-17/h4-5,11-12,16H,2-3,6-10,24H2,1H3.
What are the key properties of 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 453.93 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).