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

C22H22N2O2 — CID 163543974

IUPACmethyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCC1(CCC(=O)OC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C22H22N2O2/c1-3-13-22(14-12-19(25)26-2)16-9-5-4-8-15(16)20-21(22)24-18-11-7-6-10-17(18)23-20/h4-11H,3,12-14H2,1-2H3
InChIKeyFMMJMMUDRPLBJH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

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

methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate (PubChem CID 163543974) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
PubChem CID163543974
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namemethyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCC1(CCC(=O)OC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C22H22N2O2/c1-3-13-22(14-12-19(25)26-2)16-9-5-4-8-15(16)20-21(22)24-18-11-7-6-10-17(18)23-20/h4-11H,3,12-14H2,1-2H3
InChIKeyFMMJMMUDRPLBJH-UHFFFAOYSA-N
XLogP4.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The IUPAC name of methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate (CID 163543974) is methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate.
What is the SMILES notation for methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The canonical SMILES for methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate is CCCC1(CCC(=O)OC)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The InChIKey is FMMJMMUDRPLBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-13-22(14-12-19(25)26-2)16-9-5-4-8-15(16)20-21(22)24-18-11-7-6-10-17(18)23-20/h4-11H,3,12-14H2,1-2H3.
What are the key properties of methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate?
methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate has a molecular weight of 346.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(11-propylindeno[1,2-b]quinoxalin-11-yl)propanoate is sourced from PubChem (CID 163543974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).