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

C24H24FN5O2 — CID 57396405

IUPAC(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1cc(F)ccc1Oc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+
InChIKeyVKDAIIWEJXICLA-AATRIKPKSA-N
MW433.49 g/mol
LogP4.20
Rot. Bonds6

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

(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (PubChem CID 57396405) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
PubChem CID57396405
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1cc(F)ccc1Oc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
InChIInChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+
InChIKeyVKDAIIWEJXICLA-AATRIKPKSA-N
XLogP4.20
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (CID 57396405) is (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is Cc1cc(F)ccc1Oc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.
What is the InChIKey of (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The InChIKey is VKDAIIWEJXICLA-AATRIKPKSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide has a molecular weight of 433.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 57396405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).