(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one

C14H14N2O2 — CID 135863219

IUPAC(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1nc2ccccc2nc1C
InChIInChI=1S/C14H14N2O2/c1-8-14(13(9(2)17)10(3)18)16-12-7-5-4-6-11(12)15-8/h4-7,17H,1-3H3/b13-9-
InChIKeyRNFDXFXSFUXCLT-LCYFTJDESA-N
MW242.28 g/mol
LogP2.82
Rot. Bonds2

About (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one

(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one (PubChem CID 135863219) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
PubChem CID135863219
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1nc2ccccc2nc1C
InChIInChI=1S/C14H14N2O2/c1-8-14(13(9(2)17)10(3)18)16-12-7-5-4-6-11(12)15-8/h4-7,17H,1-3H3/b13-9-
InChIKeyRNFDXFXSFUXCLT-LCYFTJDESA-N
XLogP2.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
CID 135407277
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862
3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
CID 141325889
2-(benzenesulfonyl)-3-methylquinoxaline
CID 1202768
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
N-[(E)-1-(3-methylquinoxalin-2-yl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 43835788
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one (CID 135863219) is (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one is CC(=O)/C(=C(\C)O)c1nc2ccccc2nc1C.
What is the InChIKey of (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The InChIKey is RNFDXFXSFUXCLT-LCYFTJDESA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-14(13(9(2)17)10(3)18)16-12-7-5-4-6-11(12)15-8/h4-7,17H,1-3H3/b13-9-.
What are the key properties of (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one has a molecular weight of 242.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one is sourced from PubChem (CID 135863219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).