(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

C21H21NO5 — CID 25282498

IUPAC(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCOCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O
InChIInChI=1S/C21H21NO5/c1-24-10-9-22-12-17-18(26-13-22)8-7-16-20(23)19(27-21(16)17)11-14-3-5-15(25-2)6-4-14/h3-8,11H,9-10,12-13H2,1-2H3/b19-11-
InChIKeyPGFQNIHNWNYFSR-ODLFYWEKSA-N
MW367.40 g/mol
LogP3.11
Rot. Bonds5

About (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 25282498) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID25282498
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCOCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O
InChIInChI=1S/C21H21NO5/c1-24-10-9-22-12-17-18(26-13-22)8-7-16-20(23)19(27-21(16)17)11-14-3-5-15(25-2)6-4-14/h3-8,11H,9-10,12-13H2,1-2H3/b19-11-
InChIKeyPGFQNIHNWNYFSR-ODLFYWEKSA-N
XLogP3.11
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
CID 71779823
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-8-[(4-methoxyphenyl)methyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 95399825
(2E)-8-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276322
(7Z)-7-[(4-methoxyphenyl)methylidene]-9-methyl-3-(2-morpholin-4-ylethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 39734914
(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 95026648
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-8-[(3,4-dimethoxyphenyl)methyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 95399785
(2Z)-2-[(4-methoxyphenyl)methylidene]-6-(2-piperidin-1-ylethoxy)-1-benzofuran-3-one;hydrochloride
CID 118723572
(2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-ethylphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 25282630
(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276357
(2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 7198073
(2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-propan-2-ylphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 25282599
(2Z)-2-[(4-methoxyphenyl)methylidene]-6-(3-pyrrolidin-1-ylpropoxy)-1-benzofuran-3-one;hydrochloride
CID 118723603

Frequently Asked Questions

What is the IUPAC name of (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (CID 25282498) is (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is COCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O.
What is the InChIKey of (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is PGFQNIHNWNYFSR-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-10-9-22-12-17-18(26-13-22)8-7-16-20(23)19(27-21(16)17)11-14-3-5-15(25-2)6-4-14/h3-8,11H,9-10,12-13H2,1-2H3/b19-11-.
What are the key properties of (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 367.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 25282498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).