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

C24H25FN6O — CID 57392910

IUPAC(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1ccc(F)cc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
InChIKeyREUHDVMAKJBPJL-AATRIKPKSA-N
MW432.50 g/mol
LogP4.15
Rot. Bonds6

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

(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (PubChem CID 57392910) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
PubChem CID57392910
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1ccc(F)cc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
InChIKeyREUHDVMAKJBPJL-AATRIKPKSA-N
XLogP4.15
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 57396405
4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 76535048
4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine
CID 59956406
(E)-4-(dimethylamino)-N-[3-[8-(2-methylanilino)imidazo[1,5-a]pyrazin-5-yl]phenyl]but-2-enamide
CID 165146690
(E)-2-cyano-N,4,4-trimethyl-N-[7-(2-methylanilino)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl]pent-2-enamide
CID 166172174
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide
CID 166372713
3-[(9-fluoro-3-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(2R)-2-hydroxypropyl]-4-methylbenzamide
CID 87448819
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
methyl N-[(E)-7-(dimethylamino)-1-[[1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-oxopyrimidin-5-yl]amino]-1,7-dioxohept-5-en-2-yl]carbamate
CID 146349067
(E)-N-ethyl-N'-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-oxopyrimidin-5-yl]-N-methylhept-2-enediamide
CID 170074350

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (CID 57392910) is (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is Cc1ccc(F)cc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.
What is the InChIKey of (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The InChIKey is REUHDVMAKJBPJL-AATRIKPKSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide has a molecular weight of 432.50 g/mol, XLogP of 4.15, 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-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 57392910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).