2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline

C28H26N2O4 — CID 5475836

IUPAC2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H26N2O4/c1-31-25-15-11-19(17-27(25)33-3)9-13-23-24(30-22-8-6-5-7-21(22)29-23)14-10-20-12-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-9+,14-10+
InChIKeyMHPVIYRBVXAEQU-UTLPMFLDSA-N
MW454.53 g/mol
LogP6.01
Rot. Bonds8

About 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline

2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline (PubChem CID 5475836) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
PubChem CID5475836
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H26N2O4/c1-31-25-15-11-19(17-27(25)33-3)9-13-23-24(30-22-8-6-5-7-21(22)29-23)14-10-20-12-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-9+,14-10+
InChIKeyMHPVIYRBVXAEQU-UTLPMFLDSA-N
XLogP6.01
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
CID 70309974
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]-N-(trifluoromethylsulfonyl)acetamide
CID 155562955
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
CID 7945993

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline?
The IUPAC name of 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline (CID 5475836) is 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline?
The canonical SMILES for 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline is COc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline?
The InChIKey is MHPVIYRBVXAEQU-UTLPMFLDSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-31-25-15-11-19(17-27(25)33-3)9-13-23-24(30-22-8-6-5-7-21(22)29-23)14-10-20-12-16-26(32-2)28(18-20)34-4/h5-18H,1-4H3/b13-9+,14-10+.
What are the key properties of 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline?
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline has a molecular weight of 454.53 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline is sourced from PubChem (CID 5475836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).