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

C33H26N4O5 — CID 53383377

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1
InChIInChI=1S/C33H26N4O5/c1-40-23-13-10-20(11-14-23)31(32(38)34-22-12-15-28-29(19-22)42-17-16-41-28)37-27-9-5-4-8-25(27)36-30(33(37)39)26-18-21-6-2-3-7-24(21)35-26/h2-15,18-19,31,35H,16-17H2,1H3,(H,34,38)
InChIKeyCMQMWTLEJUDFEA-UHFFFAOYSA-N
MW558.59 g/mol
LogP5.55
Rot. Bonds6

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 53383377) has the molecular formula C33H26N4O5 and a molecular weight of 558.59 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-methoxyphenyl)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-methoxyphenyl)acetamide
PubChem CID53383377
Molecular FormulaC33H26N4O5
Molecular Weight558.59 g/mol
Exact Mass558.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1
InChIInChI=1S/C33H26N4O5/c1-40-23-13-10-20(11-14-23)31(32(38)34-22-12-15-28-29(19-22)42-17-16-41-28)37-27-9-5-4-8-25(27)36-30(33(37)39)26-18-21-6-2-3-7-24(21)35-26/h2-15,18-19,31,35H,16-17H2,1H3,(H,34,38)
InChIKeyCMQMWTLEJUDFEA-UHFFFAOYSA-N
XLogP5.55
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.59
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxyphenyl)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-methoxyphenyl)acetamide (CID 53383377) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)acetamide is COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1.
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-methoxyphenyl)acetamide?
The InChIKey is CMQMWTLEJUDFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O5/c1-40-23-13-10-20(11-14-23)31(32(38)34-22-12-15-28-29(19-22)42-17-16-41-28)37-27-9-5-4-8-25(27)36-30(33(37)39)26-18-21-6-2-3-7-24(21)35-26/h2-15,18-19,31,35H,16-17H2,1H3,(H,34,38).
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-methoxyphenyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 558.59 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-methoxyphenyl)acetamide is sourced from PubChem (CID 53383377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).