(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide

C25H19F2N3O3 — CID 26686995

IUPAC(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCOc1ccc(-c2cc(NC(=O)/C=C/c3cnc4ccccc4n3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H19F2N3O3/c1-32-19-10-6-16(7-11-19)20-14-17(8-12-23(20)33-25(26)27)30-24(31)13-9-18-15-28-21-4-2-3-5-22(21)29-18/h2-15,25H,1H3,(H,30,31)/b13-9+
InChIKeyUDFVTHVLAHKJID-UKTHLTGXSA-N
MW447.44 g/mol
LogP5.56
Rot. Bonds7

About (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26686995) has the molecular formula C25H19F2N3O3 and a molecular weight of 447.44 g/mol. Its IUPAC name is (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26686995
Molecular FormulaC25H19F2N3O3
Molecular Weight447.44 g/mol
Exact Mass447.14
IUPAC Name(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCOc1ccc(-c2cc(NC(=O)/C=C/c3cnc4ccccc4n3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H19F2N3O3/c1-32-19-10-6-16(7-11-19)20-14-17(8-12-23(20)33-25(26)27)30-24(31)13-9-18-15-28-21-4-2-3-5-22(21)29-18/h2-15,25H,1H3,(H,30,31)/b13-9+
InChIKeyUDFVTHVLAHKJID-UKTHLTGXSA-N
XLogP5.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24576066
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
1-[(6-chloro-3-pyridinyl)methyl]-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]urea
CID 78892694
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide (CID 26686995) is (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide is COc1ccc(-c2cc(NC(=O)/C=C/c3cnc4ccccc4n3)ccc2OC(F)F)cc1.
What is the InChIKey of (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is UDFVTHVLAHKJID-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H19F2N3O3/c1-32-19-10-6-16(7-11-19)20-14-17(8-12-23(20)33-25(26)27)30-24(31)13-9-18-15-28-21-4-2-3-5-22(21)29-18/h2-15,25H,1H3,(H,30,31)/b13-9+.
What are the key properties of (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 447.44 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26686995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).