[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C24H26N4O — CID 10810194

IUPAC[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2ccccc2-3)cc1
InChIInChI=1S/C24H26N4O/c1-17-10-12-18(13-11-17)21-22-24(2,3)28(23(29)26-14-6-7-15-26)20-9-5-4-8-19(20)27(22)16-25-21/h4-5,8-13,16H,6-7,14-15H2,1-3H3
InChIKeyOYWYLPYUGVUEMS-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.12
Rot. Bonds1

About [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10810194) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID10810194
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2ccccc2-3)cc1
InChIInChI=1S/C24H26N4O/c1-17-10-12-18(13-11-17)21-22-24(2,3)28(23(29)26-14-6-7-15-26)20-9-5-4-8-19(20)27(22)16-25-21/h4-5,8-13,16H,6-7,14-15H2,1-3H3
InChIKeyOYWYLPYUGVUEMS-UHFFFAOYSA-N
XLogP5.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-chloro-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 54061109
[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 54186227
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
[3-(1,3-benzoxazol-2-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 22912958
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
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
[4-(4-phenylphenyl)triazol-2-yl]-pyrrolidin-1-ylmethanone
CID 56593029
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
(4-phenyltriazol-2-yl)-pyrrolidin-1-ylmethanone
CID 56593025

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 10810194) is [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2ccccc2-3)cc1.
What is the InChIKey of [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OYWYLPYUGVUEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-10-12-18(13-11-17)21-22-24(2,3)28(23(29)26-14-6-7-15-26)20-9-5-4-8-19(20)27(22)16-25-21/h4-5,8-13,16H,6-7,14-15H2,1-3H3.
What are the key properties of [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10810194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).