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

C27H22N2O3 — CID 139231565

IUPAC7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
SMILESO=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccccc3)nc3c(n21)C(=O)CCC3
InChIInChI=1S/C27H22N2O3/c30-20-13-5-4-10-17(20)23-24-19(12-7-14-21(24)31)29-26-18(11-6-15-22(26)32)28-25(27(23)29)16-8-2-1-3-9-16/h1-5,8-10,13,30H,6-7,11-12,14-15H2
InChIKeyOFETWVRUPWOFAF-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.41
Rot. Bonds2

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

7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione (PubChem CID 139231565) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
PubChem CID139231565
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
SMILESO=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccccc3)nc3c(n21)C(=O)CCC3
InChIInChI=1S/C27H22N2O3/c30-20-13-5-4-10-17(20)23-24-19(12-7-14-21(24)31)29-26-18(11-6-15-22(26)32)28-25(27(23)29)16-8-2-1-3-9-16/h1-5,8-10,13,30H,6-7,11-12,14-15H2
InChIKeyOFETWVRUPWOFAF-UHFFFAOYSA-N
XLogP5.41
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-hydroxyphenyl)-6-phenyl-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

Related Compounds

6-(4-chlorophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
CID 139231566
6-(4-bromophenyl)-7-(2-hydroxyphenyl)-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione
CID 139231567
6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 53376161
3-amino-2-(2-hydroxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 135604529
3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 712785
4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 10868375
9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209
2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid
CID 66636870
3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 123668562
2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 71271326
2,3-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 14436619
3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 3541773

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The IUPAC name of 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione (CID 139231565) is 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione.
What is the SMILES notation for 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The canonical SMILES for 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione is O=C1CCCc2c1c(-c1ccccc1O)c1c(-c3ccccc3)nc3c(n21)C(=O)CCC3.
What is the InChIKey of 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
The InChIKey is OFETWVRUPWOFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-20-13-5-4-10-17(20)23-24-19(12-7-14-21(24)31)29-26-18(11-6-15-22(26)32)28-25(27(23)29)16-8-2-1-3-9-16/h1-5,8-10,13,30H,6-7,11-12,14-15H2.
What are the key properties of 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione?
7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione has a molecular weight of 422.48 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)-6-phenyl-2,3,4,9,10,11-hexahydroindolo[1,2-a]quinoxaline-1,8-dione is sourced from PubChem (CID 139231565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).