N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide

C20H18N4O3 — CID 101437615

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)c3ccnn3c3ccccc32)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-8-6-14(7-9-15)12-21-19(25)13-23-16-4-2-3-5-17(16)24-18(20(23)26)10-11-22-24/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeySMHPXFJKLHBRPY-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.97
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide (PubChem CID 101437615) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide
PubChem CID101437615
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)c3ccnn3c3ccccc32)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-8-6-14(7-9-15)12-21-19(25)13-23-16-4-2-3-5-17(16)24-18(20(23)26)10-11-22-24/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeySMHPXFJKLHBRPY-UHFFFAOYSA-N
XLogP1.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-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

Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
N-[(4-methoxyphenyl)methyl]-2-(7-oxo-4-thiophen-2-yl-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172407
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide (CID 101437615) is N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide is COc1ccc(CNC(=O)Cn2c(=O)c3ccnn3c3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide?
The InChIKey is SMHPXFJKLHBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-15-8-6-14(7-9-15)12-21-19(25)13-23-16-4-2-3-5-17(16)24-18(20(23)26)10-11-22-24/h2-11H,12-13H2,1H3,(H,21,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 101437615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).