2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C32H25N3O — CID 77497130

IUPAC2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1C=Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C32H25N3O/c36-30(21-23-14-16-24-10-4-5-12-26(24)20-23)35-32-29(18-15-22-8-2-1-3-9-22)33-31-27-13-7-6-11-25(27)17-19-28(31)34-32/h1-16,18,20H,17,19,21H2,(H,34,35,36)
InChIKeyVPVIAMOIIDJNAE-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.75
Rot. Bonds5

About 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 77497130) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID77497130
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC Name2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1C=Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C32H25N3O/c36-30(21-23-14-16-24-10-4-5-12-26(24)20-23)35-32-29(18-15-22-8-2-1-3-9-22)33-31-27-13-7-6-11-25(27)17-19-28(31)34-32/h1-16,18,20H,17,19,21H2,(H,34,35,36)
InChIKeyVPVIAMOIIDJNAE-UHFFFAOYSA-N
XLogP6.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 77497130) is 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1C=Cc1ccccc1)-c1ccccc1CC2.
What is the InChIKey of 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is VPVIAMOIIDJNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c36-30(21-23-14-16-24-10-4-5-12-26(24)20-23)35-32-29(18-15-22-8-2-1-3-9-22)33-31-27-13-7-6-11-25(27)17-19-28(31)34-32/h1-16,18,20H,17,19,21H2,(H,34,35,36).
What are the key properties of 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 77497130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).