(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

C26H26N2O4 — CID 110276401

IUPAC(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCCn1cc(/C=C2\Oc3c(ccc4c3CN(CC3CCCO3)CO4)C2=O)c2ccccc21
InChIInChI=1S/C26H26N2O4/c1-2-28-13-17(19-7-3-4-8-22(19)28)12-24-25(29)20-9-10-23-21(26(20)32-24)15-27(16-31-23)14-18-6-5-11-30-18/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3/b24-12-
InChIKeyWJWQMCRJLNTNPH-MSXFZWOLSA-N
MW430.50 g/mol
LogP4.61
Rot. Bonds4

About (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 110276401) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID110276401
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCCn1cc(/C=C2\Oc3c(ccc4c3CN(CC3CCCO3)CO4)C2=O)c2ccccc21
InChIInChI=1S/C26H26N2O4/c1-2-28-13-17(19-7-3-4-8-22(19)28)12-24-25(29)20-9-10-23-21(26(20)32-24)15-27(16-31-23)14-18-6-5-11-30-18/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3/b24-12-
InChIKeyWJWQMCRJLNTNPH-MSXFZWOLSA-N
XLogP4.61
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.61
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-[(2-chlorophenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276290
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276341
(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276022
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126145920
(7Z)-9-methyl-7-[(5-methylfuran-2-yl)methylidene]-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276074
(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276186
(2Z)-2-[(3-fluorophenyl)methylidene]-4-methyl-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276195
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 35494213
(2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-methylphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 25282622
(2Z)-7-[[bis(2-methoxyethyl)amino]methyl]-2-[(1-ethylindol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 35494389
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-[(2-methoxyphenyl)methoxy]-7-methyl-1-benzofuran-3-one
CID 35494026
(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
CID 71779823

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (CID 110276401) is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is CCn1cc(/C=C2\Oc3c(ccc4c3CN(CC3CCCO3)CO4)C2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is WJWQMCRJLNTNPH-MSXFZWOLSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-2-28-13-17(19-7-3-4-8-22(19)28)12-24-25(29)20-9-10-23-21(26(20)32-24)15-27(16-31-23)14-18-6-5-11-30-18/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3/b24-12-.
What are the key properties of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 430.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 110276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).