N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide

C26H22N4O2 — CID 136625501

IUPACN-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide
SMILESNc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccccc3)c(-c3ccc(O)cc3)nc1-2
InChIInChI=1S/C26H22N4O2/c27-19-9-12-21-18(15-19)8-13-22-25(21)30-24(17-6-10-20(31)11-7-17)26(28-22)29-23(32)14-16-4-2-1-3-5-16/h1-7,9-12,15,31H,8,13-14,27H2,(H,28,29,32)
InChIKeyPZRYNOASPKRZCA-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.38
Rot. Bonds4

About N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide

N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide (PubChem CID 136625501) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide
PubChem CID136625501
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide
SMILESNc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccccc3)c(-c3ccc(O)cc3)nc1-2
InChIInChI=1S/C26H22N4O2/c27-19-9-12-21-18(15-19)8-13-22-25(21)30-24(17-6-10-20(31)11-7-17)26(28-22)29-23(32)14-16-4-2-1-3-5-16/h1-7,9-12,15,31H,8,13-14,27H2,(H,28,29,32)
InChIKeyPZRYNOASPKRZCA-UHFFFAOYSA-N
XLogP4.38
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 89009367
N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
CID 136625473
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000542
2-(4-chlorophenyl)-N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 137106069
N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
CID 136625052
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
CID 159043179
N-[8-amino-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-fluorophenyl)acetamide
CID 77496856
N-[8-amino-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
CID 77496858
N-[8-amino-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide
CID 77496852
2-(4-iodophenyl)-N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 70829987
N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 70830271

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide (CID 136625501) is N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide is Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccccc3)c(-c3ccc(O)cc3)nc1-2.
What is the InChIKey of N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide?
The InChIKey is PZRYNOASPKRZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-19-9-12-21-18(15-19)8-13-22-25(21)30-24(17-6-10-20(31)11-7-17)26(28-22)29-23(32)14-16-4-2-1-3-5-16/h1-7,9-12,15,31H,8,13-14,27H2,(H,28,29,32).
What are the key properties of N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide?
N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide has a molecular weight of 422.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 136625501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).