2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline

C24H32N4 — CID 54602552

IUPAC2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline
SMILESCN1CCCCC1/C=C/c1nc2ccccc2nc1/C=C/C1CCCCN1C
InChIInChI=1S/C24H32N4/c1-27-17-7-5-9-19(27)13-15-23-24(16-14-20-10-6-8-18-28(20)2)26-22-12-4-3-11-21(22)25-23/h3-4,11-16,19-20H,5-10,17-18H2,1-2H3/b15-13+,16-14+
InChIKeyZPCVALYOZULHPE-WXUKJITCSA-N
MW376.55 g/mol
LogP4.62
Rot. Bonds4

About 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline

2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline (PubChem CID 54602552) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline
PubChem CID54602552
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline
SMILESCN1CCCCC1/C=C/c1nc2ccccc2nc1/C=C/C1CCCCN1C
InChIInChI=1S/C24H32N4/c1-27-17-7-5-9-19(27)13-15-23-24(16-14-20-10-6-8-18-28(20)2)26-22-12-4-3-11-21(22)25-23/h3-4,11-16,19-20H,5-10,17-18H2,1-2H3/b15-13+,16-14+
InChIKeyZPCVALYOZULHPE-WXUKJITCSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine
CID 152666703
3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine
CID 139948499
(E)-2-[(2R)-1-methylpiperidin-2-yl]ethenol
CID 163529259
(2S)-2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-1-methylpiperidine;(2S)-1-methyl-2-[(E)-2-phenylethenyl]piperidine;styrene;hydroiodide
CID 143803981
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 155396519
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine
CID 166128409
1-methyl-2-phenylazepane
CID 23447707
2-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]-N-(oxan-4-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 171350984
(Z)-4-(1-methylpiperidin-2-yl)but-3-enoic acid
CID 117267642
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline?
The IUPAC name of 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline (CID 54602552) is 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline?
The canonical SMILES for 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline is CN1CCCCC1/C=C/c1nc2ccccc2nc1/C=C/C1CCCCN1C.
What is the InChIKey of 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline?
The InChIKey is ZPCVALYOZULHPE-WXUKJITCSA-N. The full InChI is InChI=1S/C24H32N4/c1-27-17-7-5-9-19(27)13-15-23-24(16-14-20-10-6-8-18-28(20)2)26-22-12-4-3-11-21(22)25-23/h3-4,11-16,19-20H,5-10,17-18H2,1-2H3/b15-13+,16-14+.
What are the key properties of 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline?
2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline has a molecular weight of 376.55 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(1-methylpiperidin-2-yl)ethenyl]quinoxaline is sourced from PubChem (CID 54602552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).