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

C24H25N3O3 — CID 137125590

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

N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide (PubChem CID 137125590) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide.

Molecular Properties

• Compound Name: N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide
• PubChem CID: 137125590
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide
• SMILES: CCC(C)C(=O)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2
• InChI: InChI=1S/C24H25N3O3/c1-3-14(2)24(30)27-23-21(16-5-8-18(29)9-6-16)26-22-19-10-4-15(13-28)12-17(19)7-11-20(22)25-23/h4-6,8-10,12,14,28-29H,3,7,11,13H2,1-2H3,(H,25,27,30)
• InChIKey: ILTCUNIZPILPRA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 95.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide?

The IUPAC name of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide (CID 137125590) is N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide.

What is the SMILES notation for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide?

The canonical SMILES for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.

What is the InChIKey of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide?

The InChIKey is ILTCUNIZPILPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-14(2)24(30)27-23-21(16-5-8-18(29)9-6-16)26-22-19-10-4-15(13-28)12-17(19)7-11-20(22)25-23/h4-6,8-10,12,14,28-29H,3,7,11,13H2,1-2H3,(H,25,27,30).

What are the key properties of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide?

N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide has a molecular weight of 403.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide is sourced from PubChem (CID 137125590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).