(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C20H18N2O4 — CID 46296623

IUPAC(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccccc1/C=C1\Oc2ccc(C(=O)NC3CC3)cc2NC1=O
InChIInChI=1S/C20H18N2O4/c1-25-16-5-3-2-4-12(16)11-18-20(24)22-15-10-13(6-9-17(15)26-18)19(23)21-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,21,23)(H,22,24)/b18-11-
InChIKeyLZGIPVWNYFBRDC-WQRHYEAKSA-N
MW350.37 g/mol
LogP2.96
Rot. Bonds4

About (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 46296623) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID46296623
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccccc1/C=C1\Oc2ccc(C(=O)NC3CC3)cc2NC1=O
InChIInChI=1S/C20H18N2O4/c1-25-16-5-3-2-4-12(16)11-18-20(24)22-15-10-13(6-9-17(15)26-18)19(23)21-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,21,23)(H,22,24)/b18-11-
InChIKeyLZGIPVWNYFBRDC-WQRHYEAKSA-N
XLogP2.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-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

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 46296623) is (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COc1ccccc1/C=C1\Oc2ccc(C(=O)NC3CC3)cc2NC1=O.
What is the InChIKey of (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is LZGIPVWNYFBRDC-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-5-3-2-4-12(16)11-18-20(24)22-15-10-13(6-9-17(15)26-18)19(23)21-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,21,23)(H,22,24)/b18-11-.
What are the key properties of (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 46296623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).