2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C27H22ClN3O3 — CID 136625361

IUPAC2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C27H22ClN3O3/c28-19-9-6-16(7-10-19)14-23(33)30-27-25(26(34)17-4-2-1-3-5-17)31-24-21-12-11-20(32)15-18(21)8-13-22(24)29-27/h1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33)
InChIKeyGHMDPRMYYOICQW-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.86
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 136625361) has the molecular formula C27H22ClN3O3 and a molecular weight of 471.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID136625361
Molecular FormulaC27H22ClN3O3
Molecular Weight471.94 g/mol
Exact Mass471.13
IUPAC Name2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C27H22ClN3O3/c28-19-9-6-16(7-10-19)14-23(33)30-27-25(26(34)17-4-2-1-3-5-17)31-24-21-12-11-20(32)15-18(21)8-13-22(24)29-27/h1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33)
InChIKeyGHMDPRMYYOICQW-UHFFFAOYSA-N
XLogP4.86
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]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 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 136625361) is 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1C(O)c1ccccc1)-c1ccc(O)cc1CC2.
What is the InChIKey of 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is GHMDPRMYYOICQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O3/c28-19-9-6-16(7-10-19)14-23(33)30-27-25(26(34)17-4-2-1-3-5-17)31-24-21-12-11-20(32)15-18(21)8-13-22(24)29-27/h1-7,9-12,15,26,32,34H,8,13-14H2,(H,29,30,33).
What are the key properties of 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 471.94 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 136625361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).