N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide

C27H24Cl2N4O4 — CID 66838412

IUPACN-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3cc(C(=O)N(CCNC(C)=O)Cc4ccc(Cl)c(Cl)c4)ccc3[nH]c2=O)cc1
InChIInChI=1S/C27H24Cl2N4O4/c1-16(34)30-11-12-33(15-17-3-9-21(28)22(29)13-17)27(36)19-6-10-23-24(14-19)31-25(26(35)32-23)18-4-7-20(37-2)8-5-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyHRWFSDSHDNRMCT-UHFFFAOYSA-N
MW539.42 g/mol
LogP4.68
Rot. Bonds8

About N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide

N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide (PubChem CID 66838412) has the molecular formula C27H24Cl2N4O4 and a molecular weight of 539.42 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide
PubChem CID66838412
Molecular FormulaC27H24Cl2N4O4
Molecular Weight539.42 g/mol
Exact Mass538.12
IUPAC NameN-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3cc(C(=O)N(CCNC(C)=O)Cc4ccc(Cl)c(Cl)c4)ccc3[nH]c2=O)cc1
InChIInChI=1S/C27H24Cl2N4O4/c1-16(34)30-11-12-33(15-17-3-9-21(28)22(29)13-17)27(36)19-6-10-23-24(14-19)31-25(26(35)32-23)18-4-7-20(37-2)8-5-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyHRWFSDSHDNRMCT-UHFFFAOYSA-N
XLogP4.68
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide 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-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide (CID 66838412) is N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide is COc1ccc(-c2nc3cc(C(=O)N(CCNC(C)=O)Cc4ccc(Cl)c(Cl)c4)ccc3[nH]c2=O)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide?
The InChIKey is HRWFSDSHDNRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O4/c1-16(34)30-11-12-33(15-17-3-9-21(28)22(29)13-17)27(36)19-6-10-23-24(14-19)31-25(26(35)32-23)18-4-7-20(37-2)8-5-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,32,35).
What are the key properties of N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide?
N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide has a molecular weight of 539.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-2-oxo-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 66838412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).