8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline

C30H36N4O — CID 167652024

IUPAC8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
SMILESCCC1CCN(c2ccc(-c3ccc4ncc5c(C)nc(C6CCOCC6)n5c4c3)cc2C)CC1
InChIInChI=1S/C30H36N4O/c1-4-22-9-13-33(14-10-22)27-8-6-24(17-20(27)2)25-5-7-26-28(18-25)34-29(19-31-26)21(3)32-30(34)23-11-15-35-16-12-23/h5-8,17-19,22-23H,4,9-16H2,1-3H3
InChIKeyQSHIDXFFBGRDLR-UHFFFAOYSA-N
MW468.65 g/mol
LogP6.69
Rot. Bonds4

About 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline

8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline (PubChem CID 167652024) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
PubChem CID167652024
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
SMILESCCC1CCN(c2ccc(-c3ccc4ncc5c(C)nc(C6CCOCC6)n5c4c3)cc2C)CC1
InChIInChI=1S/C30H36N4O/c1-4-22-9-13-33(14-10-22)27-8-6-24(17-20(27)2)25-5-7-26-28(18-25)34-29(19-31-26)21(3)32-30(34)23-11-15-35-16-12-23/h5-8,17-19,22-23H,4,9-16H2,1-3H3
InChIKeyQSHIDXFFBGRDLR-UHFFFAOYSA-N
XLogP6.69
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline (CID 167652024) is 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline is CCC1CCN(c2ccc(-c3ccc4ncc5c(C)nc(C6CCOCC6)n5c4c3)cc2C)CC1.
What is the InChIKey of 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
The InChIKey is QSHIDXFFBGRDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-4-22-9-13-33(14-10-22)27-8-6-24(17-20(27)2)25-5-7-26-28(18-25)34-29(19-31-26)21(3)32-30(34)23-11-15-35-16-12-23/h5-8,17-19,22-23H,4,9-16H2,1-3H3.
What are the key properties of 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline?
8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline has a molecular weight of 468.65 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 167652024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).