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

C30H22FN3O2 — CID 136625052

IUPACN-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(F)cc1CC2
InChIInChI=1S/C30H22FN3O2/c31-23-10-13-25-22(17-23)9-14-26-29(25)34-28(20-7-11-24(35)12-8-20)30(32-26)33-27(36)16-18-5-6-19-3-1-2-4-21(19)15-18/h1-8,10-13,15,17,35H,9,14,16H2,(H,32,33,36)
InChIKeyVSTUMMVZIAYSTA-UHFFFAOYSA-N
MW475.52 g/mol
LogP6.09
Rot. Bonds4

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

N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 136625052) has the molecular formula C30H22FN3O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
PubChem CID136625052
Molecular FormulaC30H22FN3O2
Molecular Weight475.52 g/mol
Exact Mass475.17
IUPAC NameN-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(F)cc1CC2
InChIInChI=1S/C30H22FN3O2/c31-23-10-13-25-22(17-23)9-14-26-29(25)34-28(20-7-11-24(35)12-8-20)30(32-26)33-27(36)16-18-5-6-19-3-1-2-4-21(19)15-18/h1-8,10-13,15,17,35H,9,14,16H2,(H,32,33,36)
InChIKeyVSTUMMVZIAYSTA-UHFFFAOYSA-N
XLogP6.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (CID 136625052) is N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(F)cc1CC2.
What is the InChIKey of N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is VSTUMMVZIAYSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN3O2/c31-23-10-13-25-22(17-23)9-14-26-29(25)34-28(20-7-11-24(35)12-8-20)30(32-26)33-27(36)16-18-5-6-19-3-1-2-4-21(19)15-18/h1-8,10-13,15,17,35H,9,14,16H2,(H,32,33,36).
What are the key properties of N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?
N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 475.52 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 136625052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).