(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate

C14H9N2O2S- — CID 6894784

IUPAC(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate
SMILESO=C([O-])/C=C1\Nc2ccccc2N=C1c1cccs1
InChIInChI=1S/C14H10N2O2S/c17-13(18)8-11-14(12-6-3-7-19-12)16-10-5-2-1-4-9(10)15-11/h1-8,15H,(H,17,18)/p-1/b11-8-
InChIKeyKUMQFNOUGKBVQS-FLIBITNWSA-M
MW269.31 g/mol
LogP1.93
Rot. Bonds2

About (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate

(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate (PubChem CID 6894784) has the molecular formula C14H9N2O2S- and a molecular weight of 269.31 g/mol. Its IUPAC name is (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate.

Molecular Properties

Compound Name(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate
PubChem CID6894784
Molecular FormulaC14H9N2O2S-
Molecular Weight269.31 g/mol
Exact Mass269.04
IUPAC Name(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate
SMILESO=C([O-])/C=C1\Nc2ccccc2N=C1c1cccs1
InChIInChI=1S/C14H10N2O2S/c17-13(18)8-11-14(12-6-3-7-19-12)16-10-5-2-1-4-9(10)15-11/h1-8,15H,(H,17,18)/p-1/b11-8-
InChIKeyKUMQFNOUGKBVQS-FLIBITNWSA-M
XLogP1.93
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_one_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-diazo-2-thiophen-2-ylindole
CID 12705301
(2E)-2-(6-chloro-3-phenyl-1H-quinoxalin-2-ylidene)acetic acid
CID 131856196
1-methyl-3-thiophen-2-yl-5H-1,2,5-benzotriazepin-4-one
CID 102283304
2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
CID 13085167
1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole
CID 160615164
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 92815911
4-[(2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)amino]-4-oxobut-2-enoate
CID 4661308
3-thiophen-2-yl-1,6-dihydropyridazine-4-carboxylic acid
CID 69378575
(E)-2-methyl-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 131619925
(2Z)-2-indol-3-ylideneacetate
CID 154586201
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate?
The IUPAC name of (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate (CID 6894784) is (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate.
What is the SMILES notation for (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate?
The canonical SMILES for (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate is O=C([O-])/C=C1\Nc2ccccc2N=C1c1cccs1.
What is the InChIKey of (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate?
The InChIKey is KUMQFNOUGKBVQS-FLIBITNWSA-M. The full InChI is InChI=1S/C14H10N2O2S/c17-13(18)8-11-14(12-6-3-7-19-12)16-10-5-2-1-4-9(10)15-11/h1-8,15H,(H,17,18)/p-1/b11-8-.
What are the key properties of (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate?
(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate has a molecular weight of 269.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate is sourced from PubChem (CID 6894784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).