N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide

C33H31N5O — CID 67035705

IUPACN-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
SMILESCN1CCN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)C(c2ccccc2)C1
InChIInChI=1S/C33H31N5O/c1-37-18-19-38(31(23-37)26-10-6-3-7-11-26)32-22-34-29-17-14-27(21-30(29)36-32)25-12-15-28(16-13-25)35-33(39)20-24-8-4-2-5-9-24/h2-17,21-22,31H,18-20,23H2,1H3,(H,35,39)
InChIKeyQTEZPBSIENHUNE-UHFFFAOYSA-N
MW513.65 g/mol
LogP5.97
Rot. Bonds6

About N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide

N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide (PubChem CID 67035705) has the molecular formula C33H31N5O and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
PubChem CID67035705
Molecular FormulaC33H31N5O
Molecular Weight513.65 g/mol
Exact Mass513.25
IUPAC NameN-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
SMILESCN1CCN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)C(c2ccccc2)C1
InChIInChI=1S/C33H31N5O/c1-37-18-19-38(31(23-37)26-10-6-3-7-11-26)32-22-34-29-17-14-27(21-30(29)36-32)25-12-15-28(16-13-25)35-33(39)20-24-8-4-2-5-9-24/h2-17,21-22,31H,18-20,23H2,1H3,(H,35,39)
InChIKeyQTEZPBSIENHUNE-UHFFFAOYSA-N
XLogP5.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 67035679
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
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
N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
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
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
CID 67035131
2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
CID 66466632

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide (CID 67035705) is N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide is CN1CCN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)C(c2ccccc2)C1.
What is the InChIKey of N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The InChIKey is QTEZPBSIENHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O/c1-37-18-19-38(31(23-37)26-10-6-3-7-11-26)32-22-34-29-17-14-27(21-30(29)36-32)25-12-15-28(16-13-25)35-33(39)20-24-8-4-2-5-9-24/h2-17,21-22,31H,18-20,23H2,1H3,(H,35,39).
What are the key properties of N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide has a molecular weight of 513.65 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 67035705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).