(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane

C30H29NO8 — CID 71779848

IUPAC(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane
SMILESC1COCCO1.COc1ccccc1/C=C1\Oc2c(ccc3c2CN(c2ccc4c(c2)OCCO4)CO3)C1=O
InChIInChI=1S/C26H21NO6.C4H8O2/c1-29-20-5-3-2-4-16(20)12-24-25(28)18-7-9-21-19(26(18)33-24)14-27(15-32-21)17-6-8-22-23(13-17)31-11-10-30-22;1-2-6-4-3-5-1/h2-9,12-13H,10-11,14-15H2,1H3;1-4H2/b24-12-;
InChIKeyVIPGDULSGZRSNN-AXIIJKAGSA-N
MW531.56 g/mol
LogP4.47
Rot. Bonds3

About (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane

(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane (PubChem CID 71779848) has the molecular formula C30H29NO8 and a molecular weight of 531.56 g/mol. Its IUPAC name is (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane.

Molecular Properties

Compound Name(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane
PubChem CID71779848
Molecular FormulaC30H29NO8
Molecular Weight531.56 g/mol
Exact Mass531.19
IUPAC Name(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane
SMILESC1COCCO1.COc1ccccc1/C=C1\Oc2c(ccc3c2CN(c2ccc4c(c2)OCCO4)CO3)C1=O
InChIInChI=1S/C26H21NO6.C4H8O2/c1-29-20-5-3-2-4-16(20)12-24-25(28)18-7-9-21-19(26(18)33-24)14-27(15-32-21)17-6-8-22-23(13-17)31-11-10-30-22;1-2-6-4-3-5-1/h2-9,12-13H,10-11,14-15H2,1H3;1-4H2/b24-12-;
InChIKeyVIPGDULSGZRSNN-AXIIJKAGSA-N
XLogP4.47
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane 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)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane?
The IUPAC name of (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane (CID 71779848) is (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane.
What is the SMILES notation for (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane?
The canonical SMILES for (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane is C1COCCO1.COc1ccccc1/C=C1\Oc2c(ccc3c2CN(c2ccc4c(c2)OCCO4)CO3)C1=O.
What is the InChIKey of (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane?
The InChIKey is VIPGDULSGZRSNN-AXIIJKAGSA-N. The full InChI is InChI=1S/C26H21NO6.C4H8O2/c1-29-20-5-3-2-4-16(20)12-24-25(28)18-7-9-21-19(26(18)33-24)14-27(15-32-21)17-6-8-22-23(13-17)31-11-10-30-22;1-2-6-4-3-5-1/h2-9,12-13H,10-11,14-15H2,1H3;1-4H2/b24-12-;.
What are the key properties of (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane?
(2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane has a molecular weight of 531.56 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;1,4-dioxane is sourced from PubChem (CID 71779848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).