(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide

C14H15N3O2 — CID 78857543

IUPAC(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-10(9-18)16-14(19)7-6-11-8-15-12-4-2-3-5-13(12)17-11/h2-8,10,18H,9H2,1H3,(H,16,19)/b7-6+
InChIKeyDJTFPJLDOZJQJI-VOTSOKGWSA-N
MW257.29 g/mol
LogP1.14
Rot. Bonds4

About (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 78857543) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID78857543
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O2/c1-10(9-18)16-14(19)7-6-11-8-15-12-4-2-3-5-13(12)17-11/h2-8,10,18H,9H2,1H3,(H,16,19)/b7-6+
InChIKeyDJTFPJLDOZJQJI-VOTSOKGWSA-N
XLogP1.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78813722
N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78775982
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-[1-(1-adamantyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 6211917
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide (CID 78857543) is (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide is CC(CO)NC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is DJTFPJLDOZJQJI-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(9-18)16-14(19)7-6-11-8-15-12-4-2-3-5-13(12)17-11/h2-8,10,18H,9H2,1H3,(H,16,19)/b7-6+.
What are the key properties of (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 78857543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).