6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione

C27H21ClN2O3 — CID 139231566

IUPAC6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
SMILESO=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccc(Cl)cc3)nc3c(n21)C(=O)CCC3
InChIInChI=1S/C27H21ClN2O3/c28-16-13-11-15(12-14-16)25-27-23(17-5-1-2-8-20(17)31)24-19(7-4-9-21(24)32)30(27)26-18(29-25)6-3-10-22(26)33/h1-2,5,8,11-14,31H,3-4,6-7,9-10H2
InChIKeyWRILXTMNSDYWOY-UHFFFAOYSA-N
MW456.93 g/mol
LogP6.07
Rot. Bonds2

About 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione

6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione (PubChem CID 139231566) has the molecular formula C27H21ClN2O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
PubChem CID139231566
Molecular FormulaC27H21ClN2O3
Molecular Weight456.93 g/mol
Exact Mass456.12
IUPAC Name6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
SMILESO=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccc(Cl)cc3)nc3c(n21)C(=O)CCC3
InChIInChI=1S/C27H21ClN2O3/c28-16-13-11-15(12-14-16)25-27-23(17-5-1-2-8-20(17)31)24-19(7-4-9-21(24)32)30(27)26-18(29-25)6-3-10-22(26)33/h1-2,5,8,11-14,31H,3-4,6-7,9-10H2
InChIKeyWRILXTMNSDYWOY-UHFFFAOYSA-N
XLogP6.07
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione 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 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The IUPAC name of 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione (CID 139231566) is 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The canonical SMILES for 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione is O=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccc(Cl)cc3)nc3c(n21)C(=O)CCC3.
What is the InChIKey of 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The InChIKey is WRILXTMNSDYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3/c28-16-13-11-15(12-14-16)25-27-23(17-5-1-2-8-20(17)31)24-19(7-4-9-21(24)32)30(27)26-18(29-25)6-3-10-22(26)33/h1-2,5,8,11-14,31H,3-4,6-7,9-10H2.
What are the key properties of 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione has a molecular weight of 456.93 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione is sourced from PubChem (CID 139231566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).