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

C32H28N4O — CID 67035679

IUPACN-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CC(Cc5ccccc5)C4)nc3c2)cc1
InChIInChI=1S/C32H28N4O/c37-32(18-24-9-5-2-6-10-24)34-28-14-11-26(12-15-28)27-13-16-29-30(19-27)35-31(20-33-29)36-21-25(22-36)17-23-7-3-1-4-8-23/h1-16,19-20,25H,17-18,21-22H2,(H,34,37)
InChIKeyLLBMQEDZLYOLPI-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.16
Rot. Bonds7

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

N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide (PubChem CID 67035679) has the molecular formula C32H28N4O and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
PubChem CID67035679
Molecular FormulaC32H28N4O
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC NameN-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CC(Cc5ccccc5)C4)nc3c2)cc1
InChIInChI=1S/C32H28N4O/c37-32(18-24-9-5-2-6-10-24)34-28-14-11-26(12-15-28)27-13-16-29-30(19-27)35-31(20-33-29)36-21-25(22-36)17-23-7-3-1-4-8-23/h1-16,19-20,25H,17-18,21-22H2,(H,34,37)
InChIKeyLLBMQEDZLYOLPI-UHFFFAOYSA-N
XLogP6.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
N-[4-[3-(4-methyl-2-phenylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 67035705
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
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
CID 67035131
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
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
CID 159130165
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide (CID 67035679) is N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CC(Cc5ccccc5)C4)nc3c2)cc1.
What is the InChIKey of N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
The InChIKey is LLBMQEDZLYOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O/c37-32(18-24-9-5-2-6-10-24)34-28-14-11-26(12-15-28)27-13-16-29-30(19-27)35-31(20-33-29)36-21-25(22-36)17-23-7-3-1-4-8-23/h1-16,19-20,25H,17-18,21-22H2,(H,34,37).
What are the key properties of N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide?
N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide has a molecular weight of 484.60 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 67035679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).