1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone

C30H26N6O — CID 158325264

IUPAC1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccncc1
InChIInChI=1S/C30H26N6O/c37-29(24-7-11-31-12-8-24)19-22-1-3-23(4-2-22)25-5-6-27-28(20-25)34-30(21-33-27)36-17-15-35(16-18-36)26-9-13-32-14-10-26/h1-14,20-21H,15-19H2
InChIKeyGPICXUZHFKYHFY-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.84
Rot. Bonds6

About 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone

1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone (PubChem CID 158325264) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone
PubChem CID158325264
Molecular FormulaC30H26N6O
Molecular Weight486.58 g/mol
Exact Mass486.22
IUPAC Name1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccncc1
InChIInChI=1S/C30H26N6O/c37-29(24-7-11-31-12-8-24)19-22-1-3-23(4-2-22)25-5-6-27-28(20-25)34-30(21-33-27)36-17-15-35(16-18-36)26-9-13-32-14-10-26/h1-14,20-21H,15-19H2
InChIKeyGPICXUZHFKYHFY-UHFFFAOYSA-N
XLogP4.84
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone with MolForge

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Related Compounds

[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
CID 44404241
N-(1,10-phenanthrolin-2-yl)benzamide
CID 463101
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
TbPTR1 inhibitor 1
CID 164517153
[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-phenylmethanone
CID 168273041
4-methyl-N-[1,10]phenanthrolin-2-ylbenzamide
CID 14896599
[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-[3-(quinazolin-4-ylamino)phenyl]methanone
CID 53249003
5-(3-Ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxamide
CID 53317675
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
CID 66836490
[3-(2-Aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300285
Piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
CID 135300356
[3-(6-Morpholin-4-yl-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300359

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone?
The IUPAC name of 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone (CID 158325264) is 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone is O=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone?
The InChIKey is GPICXUZHFKYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c37-29(24-7-11-31-12-8-24)19-22-1-3-23(4-2-22)25-5-6-27-28(20-25)34-30(21-33-27)36-17-15-35(16-18-36)26-9-13-32-14-10-26/h1-14,20-21H,15-19H2.
What are the key properties of 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone?
1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone has a molecular weight of 486.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone is sourced from PubChem (CID 158325264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).