N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide

C14H13N3O — CID 4883206

IUPACN-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h2-8,10H,1,9H2,(H,15,18)
InChIKeyQCYHMVIEHBYVEK-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.95
Rot. Bonds4

About N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide

N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 4883206) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
PubChem CID4883206
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h2-8,10H,1,9H2,(H,15,18)
InChIKeyQCYHMVIEHBYVEK-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide (CID 4883206) is N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide is C=CCNC(=O)C=Cc1cnc2ccccc2n1.
What is the InChIKey of N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is QCYHMVIEHBYVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h2-8,10H,1,9H2,(H,15,18).
What are the key properties of N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide?
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 4883206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).