(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide

C24H26N6O — CID 57401722

IUPAC(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
SMILESCc1ccccc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H26N6O/c1-17-8-5-6-9-19(17)26-24-22-15-25-16-30(22)21-14-18(11-12-20(21)27-24)29(4)23(31)10-7-13-28(2)3/h5-12,14-16H,13H2,1-4H3,(H,26,27)/b10-7+
InChIKeyIHOAMLDSNGLEGW-JXMROGBWSA-N
MW414.51 g/mol
LogP4.02
Rot. Bonds6

About (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide

(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide (PubChem CID 57401722) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
PubChem CID57401722
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
SMILESCc1ccccc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H26N6O/c1-17-8-5-6-9-19(17)26-24-22-15-25-16-30(22)21-14-18(11-12-20(21)27-24)29(4)23(31)10-7-13-28(2)3/h5-12,14-16H,13H2,1-4H3,(H,26,27)/b10-7+
InChIKeyIHOAMLDSNGLEGW-JXMROGBWSA-N
XLogP4.02
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide (CID 57401722) is (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide is Cc1ccccc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.
What is the InChIKey of (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide?
The InChIKey is IHOAMLDSNGLEGW-JXMROGBWSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-8-5-6-9-19(17)26-24-22-15-25-16-30(22)21-14-18(11-12-20(21)27-24)29(4)23(31)10-7-13-28(2)3/h5-12,14-16H,13H2,1-4H3,(H,26,27)/b10-7+.
What are the key properties of (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide?
(E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide has a molecular weight of 414.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-methyl-N-[4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide is sourced from PubChem (CID 57401722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).