3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline

C29H30N2 — CID 129210442

IUPAC3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline
SMILESC=C(C)c1ccc2nc(-c3ccc(C)cc3)c(CCCc3cccc(CC)c3)nc2c1
InChIInChI=1S/C29H30N2/c1-5-22-8-6-9-23(18-22)10-7-11-27-29(24-14-12-21(4)13-15-24)31-26-17-16-25(20(2)3)19-28(26)30-27/h6,8-9,12-19H,2,5,7,10-11H2,1,3-4H3
InChIKeyBPUWVBWRTZFQKI-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.38
Rot. Bonds7

About 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline

3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline (PubChem CID 129210442) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline.

Molecular Properties

Compound Name3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline
PubChem CID129210442
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline
SMILESC=C(C)c1ccc2nc(-c3ccc(C)cc3)c(CCCc3cccc(CC)c3)nc2c1
InChIInChI=1S/C29H30N2/c1-5-22-8-6-9-23(18-22)10-7-11-27-29(24-14-12-21(4)13-15-24)31-26-17-16-25(20(2)3)19-28(26)30-27/h6,8-9,12-19H,2,5,7,10-11H2,1,3-4H3
InChIKeyBPUWVBWRTZFQKI-UHFFFAOYSA-N
XLogP7.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline?
The IUPAC name of 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline (CID 129210442) is 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline.
What is the SMILES notation for 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline?
The canonical SMILES for 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline is C=C(C)c1ccc2nc(-c3ccc(C)cc3)c(CCCc3cccc(CC)c3)nc2c1.
What is the InChIKey of 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline?
The InChIKey is BPUWVBWRTZFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-5-22-8-6-9-23(18-22)10-7-11-27-29(24-14-12-21(4)13-15-24)31-26-17-16-25(20(2)3)19-28(26)30-27/h6,8-9,12-19H,2,5,7,10-11H2,1,3-4H3.
What are the key properties of 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline?
3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline has a molecular weight of 406.57 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylphenyl)propyl]-2-(4-methylphenyl)-6-prop-1-en-2-ylquinoxaline is sourced from PubChem (CID 129210442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).