(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

C24H27N5O2 — CID 10811902

IUPAC(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCOc1ccc(-c2ncn3c2CN(C(=O)N2CC(C)NC(C)C2)c2ccccc2-3)cc1
InChIInChI=1S/C24H27N5O2/c1-16-12-27(13-17(2)26-16)24(30)28-14-22-23(18-8-10-19(31-3)11-9-18)25-15-29(22)21-7-5-4-6-20(21)28/h4-11,15-17,26H,12-14H2,1-3H3
InChIKeyCCORWJHDTBLOIY-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.67
Rot. Bonds2

About (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (PubChem CID 10811902) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
PubChem CID10811902
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCOc1ccc(-c2ncn3c2CN(C(=O)N2CC(C)NC(C)C2)c2ccccc2-3)cc1
InChIInChI=1S/C24H27N5O2/c1-16-12-27(13-17(2)26-16)24(30)28-14-22-23(18-8-10-19(31-3)11-9-18)25-15-29(22)21-7-5-4-6-20(21)28/h4-11,15-17,26H,12-14H2,1-3H3
InChIKeyCCORWJHDTBLOIY-UHFFFAOYSA-N
XLogP3.67
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (CID 10811902) is (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is COc1ccc(-c2ncn3c2CN(C(=O)N2CC(C)NC(C)C2)c2ccccc2-3)cc1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The InChIKey is CCORWJHDTBLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-12-27(13-17(2)26-16)24(30)28-14-22-23(18-8-10-19(31-3)11-9-18)25-15-29(22)21-7-5-4-6-20(21)28/h4-11,15-17,26H,12-14H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
(3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is sourced from PubChem (CID 10811902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).