2,3-bis(3,4-dimethoxyphenyl)quinoxaline

C24H22N2O4 — CID 1145601

IUPAC2,3-bis(3,4-dimethoxyphenyl)quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H22N2O4/c1-27-19-11-9-15(13-21(19)29-3)23-24(26-18-8-6-5-7-17(18)25-23)16-10-12-20(28-2)22(14-16)30-4/h5-14H,1-4H3
InChIKeyZYDVVBOBRYOSGF-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.00
Rot. Bonds6

About 2,3-bis(3,4-dimethoxyphenyl)quinoxaline

2,3-bis(3,4-dimethoxyphenyl)quinoxaline (PubChem CID 1145601) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2,3-bis(3,4-dimethoxyphenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(3,4-dimethoxyphenyl)quinoxaline
PubChem CID1145601
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2,3-bis(3,4-dimethoxyphenyl)quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H22N2O4/c1-27-19-11-9-15(13-21(19)29-3)23-24(26-18-8-6-5-7-17(18)25-23)16-10-12-20(28-2)22(14-16)30-4/h5-14H,1-4H3
InChIKeyZYDVVBOBRYOSGF-UHFFFAOYSA-N
XLogP5.00
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Moxaverine
CID 70882
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
Graveolinine
CID 11044132
Dimoxyline
CID 21878
Dubamine
CID 360322
2-(4-Methoxyphenyl)quinoline
CID 1481967
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,4-dimethoxyphenyl)quinoxaline?
The IUPAC name of 2,3-bis(3,4-dimethoxyphenyl)quinoxaline (CID 1145601) is 2,3-bis(3,4-dimethoxyphenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(3,4-dimethoxyphenyl)quinoxaline?
The canonical SMILES for 2,3-bis(3,4-dimethoxyphenyl)quinoxaline is COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2,3-bis(3,4-dimethoxyphenyl)quinoxaline?
The InChIKey is ZYDVVBOBRYOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-27-19-11-9-15(13-21(19)29-3)23-24(26-18-8-6-5-7-17(18)25-23)16-10-12-20(28-2)22(14-16)30-4/h5-14H,1-4H3.
What are the key properties of 2,3-bis(3,4-dimethoxyphenyl)quinoxaline?
2,3-bis(3,4-dimethoxyphenyl)quinoxaline has a molecular weight of 402.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,4-dimethoxyphenyl)quinoxaline is sourced from PubChem (CID 1145601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).