2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate

C27H26N2O4 — CID 168800313

IUPAC2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C27H26N2O4/c1-17(2)25(30)32-15-13-27(14-16-33-26(31)18(3)4)20-10-6-5-9-19(20)23-24(27)29-22-12-8-7-11-21(22)28-23/h5-12H,1,3,13-16H2,2,4H3
InChIKeyMGVCCFAILJTMHL-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.92
Rot. Bonds8

About 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate

2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate (PubChem CID 168800313) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate
PubChem CID168800313
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C27H26N2O4/c1-17(2)25(30)32-15-13-27(14-16-33-26(31)18(3)4)20-10-6-5-9-19(20)23-24(27)29-22-12-8-7-11-21(22)28-23/h5-12H,1,3,13-16H2,2,4H3
InChIKeyMGVCCFAILJTMHL-UHFFFAOYSA-N
XLogP4.92
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[3-[7-fluoro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 168800315
2-[2-[[7,8-dichloro-11-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]indeno[1,2-b]quinoxalin-11-yl]methyl]-3-oxopropoxy]ethyl 2-methylprop-2-enoate
CID 167210497
phenyl 3-[11-(3-oxo-3-phenoxypropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
CID 167025776
ethyl 3-[11-[[11-(3-ethoxy-2-methyl-3-oxopropyl)indeno[1,2-b]quinoxalin-11-yl]methyl]indeno[1,2-b]quinoxalin-11-yl]-2-methylpropanoate
CID 163874097
2-[9-[2-(2-methylprop-2-enoyloxy)ethyl]-3,6-dinaphthalen-2-ylfluoren-9-yl]ethyl 2-methylprop-2-enoate
CID 169209808
3-[11-(2-carboxyethyl)-8-fluoroindeno[1,2-b]quinoxalin-11-yl]propanoic acid
CID 170115255
2-[9-[2-(2-methylprop-2-enoyloxy)ethyl]-2,7-dinaphthalen-2-ylfluoren-9-yl]ethyl 2-methylprop-2-enoate
CID 169209798
methyl 3-(7,8-dimethyl-11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
CID 169031689
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-[11-[2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]benzo[b]fluoren-11-yl]propanoate
CID 168800282
4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
CID 163648213
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
ethyl (1R,2S,3S)-3-benzoylspiro[cyclopropane-2,11'-indeno[1,2-b]quinoxaline]-1-carboxylate
CID 162403703

Frequently Asked Questions

What is the IUPAC name of 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate (CID 168800313) is 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate?
The InChIKey is MGVCCFAILJTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17(2)25(30)32-15-13-27(14-16-33-26(31)18(3)4)20-10-6-5-9-19(20)23-24(27)29-22-12-8-7-11-21(22)28-23/h5-12H,1,3,13-16H2,2,4H3.
What are the key properties of 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate?
2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate has a molecular weight of 442.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 168800313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).