(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one

C23H20N2O4 — CID 7574533

IUPAC(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
SMILESCOc1ccc(/C=N\N2C(=O)c3ccccc3O[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-27-18-11-7-16(8-12-18)15-24-25-22(26)20-5-3-4-6-21(20)29-23(25)17-9-13-19(28-2)14-10-17/h3-15,23H,1-2H3/b24-15-/t23-/m1/s1
InChIKeyOAOLAGLUPYWHBJ-AUAXKSBWSA-N
MW388.42 g/mol
LogP4.27
Rot. Bonds5

About (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one

(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one (PubChem CID 7574533) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
PubChem CID7574533
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
SMILESCOc1ccc(/C=N\N2C(=O)c3ccccc3O[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-27-18-11-7-16(8-12-18)15-24-25-22(26)20-5-3-4-6-21(20)29-23(25)17-9-13-19(28-2)14-10-17/h3-15,23H,1-2H3/b24-15-/t23-/m1/s1
InChIKeyOAOLAGLUPYWHBJ-AUAXKSBWSA-N
XLogP4.27
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one 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

(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one
CID 10472413
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
(3S,4R)-4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-3-phenylmethoxyazetidin-2-one
CID 10365392
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate
CID 10339013
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10684466
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739
(2S)-2-(4-hydroxyphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
CID 136765479
(2S)-2-(4-hydroxyphenyl)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
CID 135572008
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one (CID 7574533) is (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one is COc1ccc(/C=N\N2C(=O)c3ccccc3O[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one?
The InChIKey is OAOLAGLUPYWHBJ-AUAXKSBWSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-18-11-7-16(8-12-18)15-24-25-22(26)20-5-3-4-6-21(20)29-23(25)17-9-13-19(28-2)14-10-17/h3-15,23H,1-2H3/b24-15-/t23-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one?
(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one has a molecular weight of 388.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 7574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).