N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide

C32H23FN4O4 — CID 53383381

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C32H23FN4O4/c33-22-9-3-2-8-21(22)30(31(38)34-20-13-14-27-28(18-20)41-16-15-40-27)37-26-12-6-5-11-24(26)36-29(32(37)39)25-17-19-7-1-4-10-23(19)35-25/h1-14,17-18,30,35H,15-16H2,(H,34,38)
InChIKeyJGHGFICJLCMEHJ-UHFFFAOYSA-N
MW546.56 g/mol
LogP5.68
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (PubChem CID 53383381) has the molecular formula C32H23FN4O4 and a molecular weight of 546.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
PubChem CID53383381
Molecular FormulaC32H23FN4O4
Molecular Weight546.56 g/mol
Exact Mass546.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C32H23FN4O4/c33-22-9-3-2-8-21(22)30(31(38)34-20-13-14-27-28(18-20)41-16-15-40-27)37-26-12-6-5-11-24(26)36-29(32(37)39)25-17-19-7-1-4-10-23(19)35-25/h1-14,17-18,30,35H,15-16H2,(H,34,38)
InChIKeyJGHGFICJLCMEHJ-UHFFFAOYSA-N
XLogP5.68
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (CID 53383381) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is O=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The InChIKey is JGHGFICJLCMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN4O4/c33-22-9-3-2-8-21(22)30(31(38)34-20-13-14-27-28(18-20)41-16-15-40-27)37-26-12-6-5-11-24(26)36-29(32(37)39)25-17-19-7-1-4-10-23(19)35-25/h1-14,17-18,30,35H,15-16H2,(H,34,38).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide has a molecular weight of 546.56 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is sourced from PubChem (CID 53383381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).