7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one

C35H27N5O — CID 70797051

IUPAC7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESO=c1[nH]c2cc3nc(-c4ccc(-c5ccncc5)cc4)n(CCc4ccccc4)c3cc2nc1Cc1ccccc1
InChIInChI=1S/C35H27N5O/c41-35-32(21-25-9-5-2-6-10-25)37-30-23-33-31(22-29(30)39-35)38-34(40(33)20-17-24-7-3-1-4-8-24)28-13-11-26(12-14-28)27-15-18-36-19-16-27/h1-16,18-19,22-23H,17,20-21H2,(H,39,41)
InChIKeyUQXGZJXDFWGNPW-UHFFFAOYSA-N
MW533.64 g/mol
LogP6.84
Rot. Bonds7

About 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one

7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 70797051) has the molecular formula C35H27N5O and a molecular weight of 533.64 g/mol. Its IUPAC name is 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID70797051
Molecular FormulaC35H27N5O
Molecular Weight533.64 g/mol
Exact Mass533.22
IUPAC Name7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESO=c1[nH]c2cc3nc(-c4ccc(-c5ccncc5)cc4)n(CCc4ccccc4)c3cc2nc1Cc1ccccc1
InChIInChI=1S/C35H27N5O/c41-35-32(21-25-9-5-2-6-10-25)37-30-23-33-31(22-29(30)39-35)38-34(40(33)20-17-24-7-3-1-4-8-24)28-13-11-26(12-14-28)27-15-18-36-19-16-27/h1-16,18-19,22-23H,17,20-21H2,(H,39,41)
InChIKeyUQXGZJXDFWGNPW-UHFFFAOYSA-N
XLogP6.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one (CID 70797051) is 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one is O=c1[nH]c2cc3nc(-c4ccc(-c5ccncc5)cc4)n(CCc4ccccc4)c3cc2nc1Cc1ccccc1.
What is the InChIKey of 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is UQXGZJXDFWGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5O/c41-35-32(21-25-9-5-2-6-10-25)37-30-23-33-31(22-29(30)39-35)38-34(40(33)20-17-24-7-3-1-4-8-24)28-13-11-26(12-14-28)27-15-18-36-19-16-27/h1-16,18-19,22-23H,17,20-21H2,(H,39,41).
What are the key properties of 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 533.64 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 70797051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).