[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H19N3O4 — CID 141466048

IUPAC[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCNc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-20-19-16(21-12-7-5-6-8-13(12)22-19)17(23)11-9-14(24-2)18(26-4)15(10-11)25-3/h5-10H,1-4H3,(H,20,22)
InChIKeyDXYCSGVOXBLSPM-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.93
Rot. Bonds6

About [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466048) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466048
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCNc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-20-19-16(21-12-7-5-6-8-13(12)22-19)17(23)11-9-14(24-2)18(26-4)15(10-11)25-3/h5-10H,1-4H3,(H,20,22)
InChIKeyDXYCSGVOXBLSPM-UHFFFAOYSA-N
XLogP2.93
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 141466048) is [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is CNc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DXYCSGVOXBLSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-20-19-16(21-12-7-5-6-8-13(12)22-19)17(23)11-9-14(24-2)18(26-4)15(10-11)25-3/h5-10H,1-4H3,(H,20,22).
What are the key properties of [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 353.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).