4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide

C24H23F2N5O2 — CID 76535048

IUPAC4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1ccc(F)cc1Oc1nc2cc(F)c(N(C)C(=O)C=CCN(C)C)cc2n2cncc12
InChIInChI=1S/C24H23F2N5O2/c1-15-7-8-16(25)10-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3
InChIKeyDJMQRVPSTSYKKK-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.34
Rot. Bonds6

About 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide

4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (PubChem CID 76535048) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
PubChem CID76535048
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
SMILESCc1ccc(F)cc1Oc1nc2cc(F)c(N(C)C(=O)C=CCN(C)C)cc2n2cncc12
InChIInChI=1S/C24H23F2N5O2/c1-15-7-8-16(25)10-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3
InChIKeyDJMQRVPSTSYKKK-UHFFFAOYSA-N
XLogP4.34
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.34
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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Related Compounds

(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 57396405
(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 57392910
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide
CID 135238002
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
CID 146101000
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
[(E,2S)-1-[[1-[(1-benzyl-5-fluorobenzimidazol-2-yl)methyl]-6-oxopyrimidin-5-yl]amino]-7-(dimethylamino)-1,7-dioxohept-5-en-2-yl] N,N-dimethylcarbamate
CID 146347597
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
[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
CID 68661499
1-cyclopropyl-5-[(5-fluoro-2-methylphenoxy)methyl]imidazole
CID 102990484
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide
CID 86954118

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The IUPAC name of 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (CID 76535048) is 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.
What is the SMILES notation for 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The canonical SMILES for 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is Cc1ccc(F)cc1Oc1nc2cc(F)c(N(C)C(=O)C=CCN(C)C)cc2n2cncc12.
What is the InChIKey of 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
The InChIKey is DJMQRVPSTSYKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-15-7-8-16(25)10-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide has a molecular weight of 451.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 76535048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).