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

C19H18N2O5 — CID 141466049

IUPAC(3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OC)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-14-9-11(10-15(24-2)18(14)25-3)17(22)16-19(26-4)21-13-8-6-5-7-12(13)20-16/h5-10H,1-4H3
InChIKeyKXGIGEJXVPYNBA-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.90
Rot. Bonds6

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

(3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466049) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466049
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OC)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-14-9-11(10-15(24-2)18(14)25-3)17(22)16-19(26-4)21-13-8-6-5-7-12(13)20-16/h5-10H,1-4H3
InChIKeyKXGIGEJXVPYNBA-UHFFFAOYSA-N
XLogP2.90
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466049) is (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2OC)cc(OC)c1OC.
What is the InChIKey of (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KXGIGEJXVPYNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-14-9-11(10-15(24-2)18(14)25-3)17(22)16-19(26-4)21-13-8-6-5-7-12(13)20-16/h5-10H,1-4H3.
What are the key properties of (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 354.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).