N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide

C26H23N5O — CID 57098246

IUPACN-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide
SMILESCc1cccc(C)c1Nc1nc2ccccc2n2c(NC(=O)Cc3ccccc3)ncc12
InChIInChI=1S/C26H23N5O/c1-17-9-8-10-18(2)24(17)30-25-22-16-27-26(29-23(32)15-19-11-4-3-5-12-19)31(22)21-14-7-6-13-20(21)28-25/h3-14,16H,15H2,1-2H3,(H,28,30)(H,27,29,32)
InChIKeyCPPUQDHZGKUPSC-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.42
Rot. Bonds5

About N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide

N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide (PubChem CID 57098246) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide
PubChem CID57098246
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC NameN-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide
SMILESCc1cccc(C)c1Nc1nc2ccccc2n2c(NC(=O)Cc3ccccc3)ncc12
InChIInChI=1S/C26H23N5O/c1-17-9-8-10-18(2)24(17)30-25-22-16-27-26(29-23(32)15-19-11-4-3-5-12-19)31(22)21-14-7-6-13-20(21)28-25/h3-14,16H,15H2,1-2H3,(H,28,30)(H,27,29,32)
InChIKeyCPPUQDHZGKUPSC-UHFFFAOYSA-N
XLogP5.42
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide (CID 57098246) is N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide is Cc1cccc(C)c1Nc1nc2ccccc2n2c(NC(=O)Cc3ccccc3)ncc12.
What is the InChIKey of N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide?
The InChIKey is CPPUQDHZGKUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-17-9-8-10-18(2)24(17)30-25-22-16-27-26(29-23(32)15-19-11-4-3-5-12-19)31(22)21-14-7-6-13-20(21)28-25/h3-14,16H,15H2,1-2H3,(H,28,30)(H,27,29,32).
What are the key properties of N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide?
N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide has a molecular weight of 421.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 57098246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).