N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

C22H24N4O2 — CID 71847025

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C22H24N4O2/c1-25(2)12-13-26(16-17-6-5-7-19(27)14-17)22(28)11-10-18-15-23-20-8-3-4-9-21(20)24-18/h3-11,14-15,27H,12-13,16H2,1-2H3
InChIKeyOILOGNLXMVOCGX-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 71847025) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID71847025
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C22H24N4O2/c1-25(2)12-13-26(16-17-6-5-7-19(27)14-17)22(28)11-10-18-15-23-20-8-3-4-9-21(20)24-18/h3-11,14-15,27H,12-13,16H2,1-2H3
InChIKeyOILOGNLXMVOCGX-UHFFFAOYSA-N
XLogP2.94
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
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-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide
CID 75418095
(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 26622306
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 35593693
[2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 18270385
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47848491
(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 34075733
(Z)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 98662400
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
CID 84592072
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (CID 71847025) is N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is CN(C)CCN(Cc1cccc(O)c1)C(=O)C=Cc1cnc2ccccc2n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is OILOGNLXMVOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(2)12-13-26(16-17-6-5-7-19(27)14-17)22(28)11-10-18-15-23-20-8-3-4-9-21(20)24-18/h3-11,14-15,27H,12-13,16H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 71847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).