methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate

C24H26N2O2 — CID 164705523

IUPACmethyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
SMILESCOC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C24H26N2O2/c1-15(2)13-24(14-16(3)23(27)28-4)18-10-6-5-9-17(18)21-22(24)26-20-12-8-7-11-19(20)25-21/h5-12,15-16H,13-14H2,1-4H3
InChIKeyIYIZUAZEUILVCJ-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.14
Rot. Bonds5

About methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate

methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate (PubChem CID 164705523) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
PubChem CID164705523
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namemethyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
SMILESCOC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C24H26N2O2/c1-15(2)13-24(14-16(3)23(27)28-4)18-10-6-5-9-17(18)21-22(24)26-20-12-8-7-11-19(20)25-21/h5-12,15-16H,13-14H2,1-4H3
InChIKeyIYIZUAZEUILVCJ-UHFFFAOYSA-N
XLogP5.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate?
The IUPAC name of methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate (CID 164705523) is methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate is COC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate?
The InChIKey is IYIZUAZEUILVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15(2)13-24(14-16(3)23(27)28-4)18-10-6-5-9-17(18)21-22(24)26-20-12-8-7-11-19(20)25-21/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate?
methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate has a molecular weight of 374.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[11-(2-methylpropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate is sourced from PubChem (CID 164705523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).