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

C31H28N6O — CID 152895241

IUPAC1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)Cc1cccnc1
InChIInChI=1S/C31H28N6O/c38-28(19-24-2-1-11-33-21-24)18-23-3-5-25(6-4-23)26-7-8-29-30(20-26)35-31(22-34-29)37-16-14-36(15-17-37)27-9-12-32-13-10-27/h1-13,20-22H,14-19H2
InChIKeyUEFVUTTXYAGUKM-UHFFFAOYSA-N
MW500.61 g/mol
LogP4.77
Rot. Bonds7

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

1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one (PubChem CID 152895241) has the molecular formula C31H28N6O and a molecular weight of 500.61 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
PubChem CID152895241
Molecular FormulaC31H28N6O
Molecular Weight500.61 g/mol
Exact Mass500.23
IUPAC Name1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)Cc1cccnc1
InChIInChI=1S/C31H28N6O/c38-28(19-24-2-1-11-33-21-24)18-23-3-5-25(6-4-23)26-7-8-29-30(20-26)35-31(22-34-29)37-16-14-36(15-17-37)27-9-12-32-13-10-27/h1-13,20-22H,14-19H2
InChIKeyUEFVUTTXYAGUKM-UHFFFAOYSA-N
XLogP4.77
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
1-(3-fluorophenyl)-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propan-2-one
CID 149146623
1-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]hex-5-yn-2-one
CID 153148663
2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 67035435
2-[3-(aminomethyl)phenyl]-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 174665506
1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 160916995
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-thiophen-3-ylethanone
CID 159308184
1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
2-fluoro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 67035752
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 140597681

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one?
The IUPAC name of 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one (CID 152895241) is 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one?
The canonical SMILES for 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one is O=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)Cc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one?
The InChIKey is UEFVUTTXYAGUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O/c38-28(19-24-2-1-11-33-21-24)18-23-3-5-25(6-4-23)26-7-8-29-30(20-26)35-31(22-34-29)37-16-14-36(15-17-37)27-9-12-32-13-10-27/h1-13,20-22H,14-19H2.
What are the key properties of 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one?
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one has a molecular weight of 500.61 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one is sourced from PubChem (CID 152895241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).