2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide

C31H29N3O2 — CID 53383106

IUPAC2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C31H29N3O2/c1-2-3-11-21-32-30(35)29(25-18-12-16-22-13-7-8-17-24(22)25)34-27-20-10-9-19-26(27)33-28(31(34)36)23-14-5-4-6-15-23/h4-10,12-20,29H,2-3,11,21H2,1H3,(H,32,35)
InChIKeyWHZIGUUPMFLDJY-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.11
Rot. Bonds8

About 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide

2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide (PubChem CID 53383106) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
PubChem CID53383106
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C31H29N3O2/c1-2-3-11-21-32-30(35)29(25-18-12-16-22-13-7-8-17-24(22)25)34-27-20-10-9-19-26(27)33-28(31(34)36)23-14-5-4-6-15-23/h4-10,12-20,29H,2-3,11,21H2,1H3,(H,32,35)
InChIKeyWHZIGUUPMFLDJY-UHFFFAOYSA-N
XLogP6.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide (CID 53383106) is 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide is CCCCCNC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
The InChIKey is WHZIGUUPMFLDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-2-3-11-21-32-30(35)29(25-18-12-16-22-13-7-8-17-24(22)25)34-27-20-10-9-19-26(27)33-28(31(34)36)23-14-5-4-6-15-23/h4-10,12-20,29H,2-3,11,21H2,1H3,(H,32,35).
What are the key properties of 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide?
2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide has a molecular weight of 475.59 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 53383106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).