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

C14H14N2O2 — CID 135407277

IUPAC(Z)-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-UKTHLTGXSA-N
MW242.28 g/mol
LogP2.82
Rot. Bonds2

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

(Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one (PubChem CID 135407277) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
PubChem CID135407277
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(Z)-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-UKTHLTGXSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one (CID 135407277) is (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The canonical SMILES for (Z)-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 (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
The InChIKey is RNFDXFXSFUXCLT-UKTHLTGXSA-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 (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one?
(Z)-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 (Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one is sourced from PubChem (CID 135407277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).