N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide

C28H21ClN4O5 — CID 44723237

IUPACN-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)N/N=C/c3coc4cc(C)c(Cl)cc4c3=O)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H21ClN4O5/c1-16-11-24-22(12-23(16)29)27(35)18(15-38-24)13-30-31-25(34)14-33-28(36)21-6-4-3-5-20(21)26(32-33)17-7-9-19(37-2)10-8-17/h3-13,15H,14H2,1-2H3,(H,31,34)/b30-13+
InChIKeyKWUPJFJCRYIHJM-VVEOGCPPSA-N
MW528.95 g/mol
LogP4.29
Rot. Bonds6

About N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide

N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 44723237) has the molecular formula C28H21ClN4O5 and a molecular weight of 528.95 g/mol. Its IUPAC name is N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID44723237
Molecular FormulaC28H21ClN4O5
Molecular Weight528.95 g/mol
Exact Mass528.12
IUPAC NameN-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)N/N=C/c3coc4cc(C)c(Cl)cc4c3=O)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H21ClN4O5/c1-16-11-24-22(12-23(16)29)27(35)18(15-38-24)13-30-31-25(34)14-33-28(36)21-6-4-3-5-20(21)26(32-33)17-7-9-19(37-2)10-8-17/h3-13,15H,14H2,1-2H3,(H,31,34)/b30-13+
InChIKeyKWUPJFJCRYIHJM-VVEOGCPPSA-N
XLogP4.29
TPSA115.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.95
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-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-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 44722758
2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44722763
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(propan-2-ylideneamino)acetamide
CID 44724691
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
2-[4-(3,4-dimethylphenyl)-1-oxophthalazin-2-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 46192562
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 44723132
3-(4-methoxyphenyl)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 6900125
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide (CID 44723237) is N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide is COc1ccc(-c2nn(CC(=O)N/N=C/c3coc4cc(C)c(Cl)cc4c3=O)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is KWUPJFJCRYIHJM-VVEOGCPPSA-N. The full InChI is InChI=1S/C28H21ClN4O5/c1-16-11-24-22(12-23(16)29)27(35)18(15-38-24)13-30-31-25(34)14-33-28(36)21-6-4-3-5-20(21)26(32-33)17-7-9-19(37-2)10-8-17/h3-13,15H,14H2,1-2H3,(H,31,34)/b30-13+.
What are the key properties of N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide?
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 528.95 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 44723237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).