(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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Related Compounds

5-tert-butyl-3-(4-methoxyphenyl)-4H-imidazo[1,5-a]quinoxaline
CID 10688103
tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-6-methyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10812312
piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 22912973
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methoxy-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 15268196
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 120657857
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 58880620
3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline
CID 57053446
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116

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).