(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one

C17H13N3O — CID 87778334

IUPAC(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESNc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H13N3O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H,18H2/b10-9+
InChIKeyUEIXALHZYDDFMP-MDZDMXLPSA-N
MW275.31 g/mol
LogP3.11
Rot. Bonds3

About (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one

(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 87778334) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID87778334
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESNc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H13N3O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H,18H2/b10-9+
InChIKeyUEIXALHZYDDFMP-MDZDMXLPSA-N
XLogP3.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
4-(Quinoxalin-2-yl)aniline
CID 761862
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
Aminopyridine N-oxide, 34
CID 44249910
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one (CID 87778334) is (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one is Nc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is UEIXALHZYDDFMP-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H13N3O/c18-13-7-5-12(6-8-13)17(21)10-9-14-11-19-15-3-1-2-4-16(15)20-14/h1-11H,18H2/b10-9+.
What are the key properties of (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 87778334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).