(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H22N2O5 — CID 141466081

IUPAC(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyOXLCAMOQHFEHOY-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.68
Rot. Bonds8

About (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466081) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466081
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyOXLCAMOQHFEHOY-UHFFFAOYSA-N
XLogP3.68
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466081) is (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is CCCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OXLCAMOQHFEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 382.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).