(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide

C14H15N3O — CID 29292325

IUPAC(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h3-8,10H,2,9H2,1H3,(H,15,18)/b8-7+
InChIKeyQZFKXKOXTOVPDU-BQYQJAHWSA-N
MW241.29 g/mol
LogP2.17
Rot. Bonds4

About (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 29292325) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
PubChem CID29292325
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h3-8,10H,2,9H2,1H3,(H,15,18)/b8-7+
InChIKeyQZFKXKOXTOVPDU-BQYQJAHWSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
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
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78775982

Frequently Asked Questions

What is the IUPAC name of (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide (CID 29292325) is (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide is CCCNC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is QZFKXKOXTOVPDU-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-9-15-14(18)8-7-11-10-16-12-5-3-4-6-13(12)17-11/h3-8,10H,2,9H2,1H3,(H,15,18)/b8-7+.
What are the key properties of (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 29292325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).