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

C33H23F3N4O4 — CID 53383382

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C33H23F3N4O4/c34-33(35,36)21-11-9-19(10-12-21)30(31(41)37-22-13-14-27-28(18-22)44-16-15-43-27)40-26-8-4-3-7-24(26)39-29(32(40)42)25-17-20-5-1-2-6-23(20)38-25/h1-14,17-18,30,38H,15-16H2,(H,37,41)
InChIKeyUZJNBYMGQUPAIF-UHFFFAOYSA-N
MW596.57 g/mol
LogP6.56
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53383382) has the molecular formula C33H23F3N4O4 and a molecular weight of 596.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53383382
Molecular FormulaC33H23F3N4O4
Molecular Weight596.57 g/mol
Exact Mass596.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C33H23F3N4O4/c34-33(35,36)21-11-9-19(10-12-21)30(31(41)37-22-13-14-27-28(18-22)44-16-15-43-27)40-26-8-4-3-7-24(26)39-29(32(40)42)25-17-20-5-1-2-6-23(20)38-25/h1-14,17-18,30,38H,15-16H2,(H,37,41)
InChIKeyUZJNBYMGQUPAIF-UHFFFAOYSA-N
XLogP6.56
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.57
LogP ≤ 56.56
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-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 53383382) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc2c(c1)OCCO2)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UZJNBYMGQUPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F3N4O4/c34-33(35,36)21-11-9-19(10-12-21)30(31(41)37-22-13-14-27-28(18-22)44-16-15-43-27)40-26-8-4-3-7-24(26)39-29(32(40)42)25-17-20-5-1-2-6-23(20)38-25/h1-14,17-18,30,38H,15-16H2,(H,37,41).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 596.57 g/mol, XLogP of 6.56, 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-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53383382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).