N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C23H25N5O5S — CID 24992469

IUPACN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C23H25N5O5S/c1-14-21(15(2)33-27-14)34(30,31)28-23-22(24-18-8-4-5-9-19(18)25-23)26-20-13-17(32-3)11-10-16(20)7-6-12-29/h4-5,8-11,13,29H,6-7,12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyLUBLPGZGNBRWFW-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.71
Rot. Bonds9

About N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 24992469) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID24992469
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC NameN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C23H25N5O5S/c1-14-21(15(2)33-27-14)34(30,31)28-23-22(24-18-8-4-5-9-19(18)25-23)26-20-13-17(32-3)11-10-16(20)7-6-12-29/h4-5,8-11,13,29H,6-7,12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyLUBLPGZGNBRWFW-UHFFFAOYSA-N
XLogP3.71
TPSA139.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide 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-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 24992469) is N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LUBLPGZGNBRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-14-21(15(2)33-27-14)34(30,31)28-23-22(24-18-8-4-5-9-19(18)25-23)26-20-13-17(32-3)11-10-16(20)7-6-12-29/h4-5,8-11,13,29H,6-7,12H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 483.55 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 24992469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).