ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

C28H26FN3O2 — CID 143000542

IUPACethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCC.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1-c1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C26H20FN3O2.C2H6/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26;1-2/h1-7,9-12,15,31H,8,13-14H2,(H,28,29,32);1-2H3
InChIKeyUXJFZBANJWCODF-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.96
Rot. Bonds4

About ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 143000542) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID143000542
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Nameethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCC.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1-c1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C26H20FN3O2.C2H6/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26;1-2/h1-7,9-12,15,31H,8,13-14H2,(H,28,29,32);1-2H3
InChIKeyUXJFZBANJWCODF-UHFFFAOYSA-N
XLogP5.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 143000542) is ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is CC.O=C(Cc1ccc(F)cc1)Nc1nc2c(nc1-c1ccccc1)-c1ccc(O)cc1CC2.
What is the InChIKey of ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is UXJFZBANJWCODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2.C2H6/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26;1-2/h1-7,9-12,15,31H,8,13-14H2,(H,28,29,32);1-2H3.
What are the key properties of ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 455.53 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 143000542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).