2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide

C31H27FN6O — CID 67035435

IUPAC2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1
InChIInChI=1S/C31H27FN6O/c32-25-6-1-22(2-7-25)19-31(39)35-26-8-3-23(4-9-26)24-5-10-28-29(20-24)36-30(21-34-28)38-17-15-37(16-18-38)27-11-13-33-14-12-27/h1-14,20-21H,15-19H2,(H,35,39)
InChIKeyURHCQGKSMNRRDZ-UHFFFAOYSA-N
MW518.60 g/mol
LogP5.34
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide (PubChem CID 67035435) has the molecular formula C31H27FN6O and a molecular weight of 518.60 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
PubChem CID67035435
Molecular FormulaC31H27FN6O
Molecular Weight518.60 g/mol
Exact Mass518.22
IUPAC Name2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1
InChIInChI=1S/C31H27FN6O/c32-25-6-1-22(2-7-25)19-31(39)35-26-8-3-23(4-9-26)24-5-10-28-29(20-24)36-30(21-34-28)38-17-15-37(16-18-38)27-11-13-33-14-12-27/h1-14,20-21H,15-19H2,(H,35,39)
InChIKeyURHCQGKSMNRRDZ-UHFFFAOYSA-N
XLogP5.34
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(aminomethyl)phenyl]-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 174665506
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050
2-fluoro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 67035752
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 152895241
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide
CID 67035170
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 140597681
N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
CID 67035131
N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 67035679
2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
CID 67035407

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide (CID 67035435) is 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide?
The InChIKey is URHCQGKSMNRRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6O/c32-25-6-1-22(2-7-25)19-31(39)35-26-8-3-23(4-9-26)24-5-10-28-29(20-24)36-30(21-34-28)38-17-15-37(16-18-38)27-11-13-33-14-12-27/h1-14,20-21H,15-19H2,(H,35,39).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide has a molecular weight of 518.60 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide is sourced from PubChem (CID 67035435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).