(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one

C24H22N2O2 — CID 28863302

IUPAC(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one
SMILESCc1ccc(/C=C2/Oc3ccc(N)cc3N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-23-24(27)26(15-19-9-5-17(2)6-10-19)21-14-20(25)11-12-22(21)28-23/h3-14H,15,25H2,1-2H3/b23-13+
InChIKeyDAAWZWOGYRRRAF-YDZHTSKRSA-N
MW370.45 g/mol
LogP4.85
Rot. Bonds3

About (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one

(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one (PubChem CID 28863302) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one
PubChem CID28863302
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one
SMILESCc1ccc(/C=C2/Oc3ccc(N)cc3N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-23-24(27)26(15-19-9-5-17(2)6-10-19)21-14-20(25)11-12-22(21)28-23/h3-14H,15,25H2,1-2H3/b23-13+
InChIKeyDAAWZWOGYRRRAF-YDZHTSKRSA-N
XLogP4.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-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

(2E)-6-amino-2-benzylidene-4-[(3-chlorophenyl)methyl]-1,4-benzoxazin-3-one
CID 28863056
(2E)-6-amino-2-[(4-methylphenyl)methylidene]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 28863284
(2E)-6-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28863092
(2E)-6-amino-2-[(4-chlorophenyl)methylidene]-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 28863827
(2E)-6-amino-2-[(4-chlorophenyl)methylidene]-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 28863817
2-[(2E)-6-amino-2-[(4-ethylphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28864251
2-[(2E)-7-amino-2-[(4-methylphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28863251
(2E)-4-(3-aminopropyl)-2-[(4-ethylphenyl)methylidene]-6-methyl-1,4-benzoxazin-3-one
CID 28864188
(2E)-6-amino-2-benzylidene-4-butyl-1,4-benzoxazin-3-one
CID 28863048
(2E)-6-amino-2-benzylidene-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 28863050
2-[(2E)-2-[(4-chlorophenyl)methylidene]-6-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 28863751
(5Z)-3-benzyl-5-[(4-methylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 172561876

Frequently Asked Questions

What is the IUPAC name of (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one?
The IUPAC name of (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one (CID 28863302) is (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one.
What is the SMILES notation for (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one?
The canonical SMILES for (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one is Cc1ccc(/C=C2/Oc3ccc(N)cc3N(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one?
The InChIKey is DAAWZWOGYRRRAF-YDZHTSKRSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-3-7-18(8-4-16)13-23-24(27)26(15-19-9-5-17(2)6-10-19)21-14-20(25)11-12-22(21)28-23/h3-14H,15,25H2,1-2H3/b23-13+.
What are the key properties of (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one?
(2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one has a molecular weight of 370.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-amino-4-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one is sourced from PubChem (CID 28863302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).