2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline

C30H27N5 — CID 10127621

IUPAC2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C30H27N5/c1-2-8-24(9-3-1)29-30(33-27-11-5-4-10-26(27)32-29)25-15-13-23(14-16-25)22-34-18-20-35(21-19-34)28-12-6-7-17-31-28/h1-17H,18-22H2
InChIKeyDDIBYWIFFTUZHT-UHFFFAOYSA-N
MW457.58 g/mol
LogP5.68
Rot. Bonds5

About 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline

2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline (PubChem CID 10127621) has the molecular formula C30H27N5 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
PubChem CID10127621
Molecular FormulaC30H27N5
Molecular Weight457.58 g/mol
Exact Mass457.23
IUPAC Name2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C30H27N5/c1-2-8-24(9-3-1)29-30(33-27-11-5-4-10-26(27)32-29)25-15-13-23(14-16-25)22-34-18-20-35(21-19-34)28-12-6-7-17-31-28/h1-17H,18-22H2
InChIKeyDDIBYWIFFTUZHT-UHFFFAOYSA-N
XLogP5.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine
CID 175982870
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylquinoxaline
CID 139230984
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline?
The IUPAC name of 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline (CID 10127621) is 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline?
The InChIKey is DDIBYWIFFTUZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5/c1-2-8-24(9-3-1)29-30(33-27-11-5-4-10-26(27)32-29)25-15-13-23(14-16-25)22-34-18-20-35(21-19-34)28-12-6-7-17-31-28/h1-17H,18-22H2.
What are the key properties of 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline?
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline has a molecular weight of 457.58 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline is sourced from PubChem (CID 10127621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).