methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate

C18H12N2O2 — CID 71406787

IUPACmethyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate
SMILESCOC(=O)C=C1c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C18H12N2O2/c1-22-16(21)10-13-11-6-2-3-7-12(11)17-18(13)20-15-9-5-4-8-14(15)19-17/h2-10H,1H3
InChIKeyHMFGGSKVAYGEIV-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.21
Rot. Bonds1

About methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate

methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate (PubChem CID 71406787) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate
PubChem CID71406787
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Namemethyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate
SMILESCOC(=O)C=C1c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C18H12N2O2/c1-22-16(21)10-13-11-6-2-3-7-12(11)17-18(13)20-15-9-5-4-8-14(15)19-17/h2-10H,1H3
InChIKeyHMFGGSKVAYGEIV-UHFFFAOYSA-N
XLogP3.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
CID 53483298
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl 2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetate
CID 139710128
methyl (2Z)-2-(2-oxo-5-trityl-1-benzofuran-3-ylidene)acetate
CID 102069873
methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
CID 23248867
[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
CID 171978500
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
methyl acridine-9-carboxylate
CID 21211
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
methyl 2-[11-[[11-(2-methoxy-2-oxoethyl)indeno[1,2-b]quinoxalin-11-yl]methyl]indeno[1,2-b]quinoxalin-11-yl]acetate
CID 167026199
methyl 5-bromo-2-(3-phenylquinoxalin-2-yl)benzoate
CID 132502729

Frequently Asked Questions

What is the IUPAC name of methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate?
The IUPAC name of methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate (CID 71406787) is methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate.
What is the SMILES notation for methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate?
The canonical SMILES for methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate is COC(=O)C=C1c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate?
The InChIKey is HMFGGSKVAYGEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-22-16(21)10-13-11-6-2-3-7-12(11)17-18(13)20-15-9-5-4-8-14(15)19-17/h2-10H,1H3.
What are the key properties of methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate?
methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate has a molecular weight of 288.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate is sourced from PubChem (CID 71406787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).