(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C25H21ClN2O5 — CID 46296751

IUPAC(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)c(OC)c1
InChIInChI=1S/C25H21ClN2O5/c1-31-18-9-7-17(22(13-18)32-2)14-27-24(29)16-8-10-21-20(11-16)28-25(30)23(33-21)12-15-5-3-4-6-19(15)26/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)/b23-12-
InChIKeyOFSNSSIZHITXGD-FMCGGJTJSA-N
MW464.91 g/mol
LogP4.66
Rot. Bonds6

About (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 46296751) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID46296751
Molecular FormulaC25H21ClN2O5
Molecular Weight464.91 g/mol
Exact Mass464.11
IUPAC Name(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)c(OC)c1
InChIInChI=1S/C25H21ClN2O5/c1-31-18-9-7-17(22(13-18)32-2)14-27-24(29)16-8-10-21-20(11-16)28-25(30)23(33-21)12-15-5-3-4-6-19(15)26/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)/b23-12-
InChIKeyOFSNSSIZHITXGD-FMCGGJTJSA-N
XLogP4.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide 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

(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296631
(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296744
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(2R)-2-phenylpropyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867447
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296715
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ylbutyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296761
(2Z)-2-[(3-chlorophenyl)methylidene]-N-[(2-ethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296841
(2E)-N-[2-(azepan-1-yl)ethyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296654
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867443
(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296623
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296693
(2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296848
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 71363831

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 46296751) is (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)c(OC)c1.
What is the InChIKey of (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is OFSNSSIZHITXGD-FMCGGJTJSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c1-31-18-9-7-17(22(13-18)32-2)14-27-24(29)16-8-10-21-20(11-16)28-25(30)23(33-21)12-15-5-3-4-6-19(15)26/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)/b23-12-.
What are the key properties of (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 46296751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).