propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate

C20H19N3O3 — CID 933462

IUPACpropan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C
InChIInChI=1S/C20H19N3O3/c1-12(2)26-18(24)11-23-17-9-8-13(25-3)10-14(17)19-20(23)22-16-7-5-4-6-15(16)21-19/h4-10,12H,11H2,1-3H3
InChIKeyYYFSTFSPQNPVJW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.70
Rot. Bonds4

About propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate

propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate (PubChem CID 933462) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
PubChem CID933462
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namepropan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C
InChIInChI=1S/C20H19N3O3/c1-12(2)26-18(24)11-23-17-9-8-13(25-3)10-14(17)19-20(23)22-16-7-5-4-6-15(16)21-19/h4-10,12H,11H2,1-3H3
InChIKeyYYFSTFSPQNPVJW-UHFFFAOYSA-N
XLogP3.70
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The IUPAC name of propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate (CID 933462) is propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The canonical SMILES for propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate is COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The InChIKey is YYFSTFSPQNPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(2)26-18(24)11-23-17-9-8-13(25-3)10-14(17)19-20(23)22-16-7-5-4-6-15(16)21-19/h4-10,12H,11H2,1-3H3.
What are the key properties of propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate has a molecular weight of 349.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate is sourced from PubChem (CID 933462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).