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

C24H23F2N5O2 — CID 57391145

IUPAC(E)-4-(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=C/CN(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/b6-5+
InChIKeyDJMQRVPSTSYKKK-AATRIKPKSA-N
MW451.48 g/mol
LogP4.34
Rot. Bonds6

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

(E)-4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (PubChem CID 57391145) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
PubChem CID57391145
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name(E)-4-(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=C/CN(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/b6-5+
InChIKeyDJMQRVPSTSYKKK-AATRIKPKSA-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

CID 15949613
CID 15949613
CID 57392994
CID 57392994
CID 52948222
CID 52948222
CID 118288325
CID 118288325
CID 49866144
CID 49866144
CID 57392995
CID 57392995
CID 57396405
CID 57396405
CID 57396406
CID 57396406
CID 57396492
CID 57396492
CID 57399857
CID 57399857
CID 57401632
CID 57401632
CID 57401633
CID 57401633

Frequently Asked Questions

What is the IUPAC name of (E)-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 (E)-4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide (CID 57391145) is (E)-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 (E)-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 (E)-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=C/CN(C)C)cc2n2cncc12.
What is the InChIKey of (E)-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-AATRIKPKSA-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/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-[7-fluoro-4-(5-fluoro-2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide?
(E)-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 (E)-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 57391145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).