2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C14H10Cl2N4O4 — CID 162727660

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H10Cl2N4O4/c15-8-4-17-20(14(23)13(8)16)5-11(21)18-7-1-2-10-9(3-7)19-12(22)6-24-10/h1-4H,5-6H2,(H,18,21)(H,19,22)
InChIKeyFRVHTASASCEJPJ-UHFFFAOYSA-N
MW369.16 g/mol
LogP1.52
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 162727660) has the molecular formula C14H10Cl2N4O4 and a molecular weight of 369.16 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID162727660
Molecular FormulaC14H10Cl2N4O4
Molecular Weight369.16 g/mol
Exact Mass368.01
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H10Cl2N4O4/c15-8-4-17-20(14(23)13(8)16)5-11(21)18-7-1-2-10-9(3-7)19-12(22)6-24-10/h1-4H,5-6H2,(H,18,21)(H,19,22)
InChIKeyFRVHTASASCEJPJ-UHFFFAOYSA-N
XLogP1.52
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-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

2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-oxo-1H-quinolin-7-yl)acetamide
CID 162728119
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 162727660) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is FRVHTASASCEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O4/c15-8-4-17-20(14(23)13(8)16)5-11(21)18-7-1-2-10-9(3-7)19-12(22)6-24-10/h1-4H,5-6H2,(H,18,21)(H,19,22).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 369.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 162727660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).