N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide

C27H28FN3O2 — CID 70830338

About N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide

N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 70830338) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 70830338
• Molecular Formula: C27H28FN3O2
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide
• SMILES: O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(F)cc1CC2
• InChI: InChI=1S/C27H28FN3O2/c28-20-9-12-22-19(16-20)8-13-23-26(22)29-24(14-17-4-2-1-3-5-17)27(30-23)31-25(33)15-18-6-10-21(32)11-7-18/h6-7,9-12,16-17,32H,1-5,8,13-15H2,(H,30,31,33)
• InChIKey: JTBMMPVRBYSHMV-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide (CID 70830338) is N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide.

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

The canonical SMILES for N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1CC1CCCCC1)-c1ccc(F)cc1CC2.

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

The InChIKey is JTBMMPVRBYSHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-20-9-12-22-19(16-20)8-13-23-26(22)29-24(14-17-4-2-1-3-5-17)27(30-23)31-25(33)15-18-6-10-21(32)11-7-18/h6-7,9-12,16-17,32H,1-5,8,13-15H2,(H,30,31,33).

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

N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylmethyl)-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 70830338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).