(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

C26H29NO7 — CID 110276186

IUPAC(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CC1CCCO1)C3
InChIInChI=1S/C26H29NO7/c1-15-8-20-18(13-27(14-33-20)12-17-6-5-7-32-17)26-24(15)25(28)23(34-26)10-16-9-21(30-3)22(31-4)11-19(16)29-2/h8-11,17H,5-7,12-14H2,1-4H3/b23-10-
InChIKeyRQMLISIONZIXHR-RMORIDSASA-N
MW467.52 g/mol
LogP3.97
Rot. Bonds6

About (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 110276186) has the molecular formula C26H29NO7 and a molecular weight of 467.52 g/mol. Its IUPAC name is (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID110276186
Molecular FormulaC26H29NO7
Molecular Weight467.52 g/mol
Exact Mass467.19
IUPAC Name(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CC1CCCO1)C3
InChIInChI=1S/C26H29NO7/c1-15-8-20-18(13-27(14-33-20)12-17-6-5-7-32-17)26-24(15)25(28)23(34-26)10-16-9-21(30-3)22(31-4)11-19(16)29-2/h8-11,17H,5-7,12-14H2,1-4H3/b23-10-
InChIKeyRQMLISIONZIXHR-RMORIDSASA-N
XLogP3.97
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(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-[(5-bromo-2-methoxyphenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276341
(2Z)-8-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 95399719
(2Z)-2-[(2-chlorophenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276290
(2Z)-8-(1,1-dioxothiolan-3-yl)-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276230
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276401
(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276022
(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
3-(4-methoxyphenyl)-2-methyl-9-[[(2S)-oxolan-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 40917105
(2Z)-8-(1,1-dioxothiolan-3-yl)-4-methyl-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276266
(5Z)-5-[(5-chloro-2,4-dimethoxyphenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126090574
(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126084921

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (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) is (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is COc1cc(OC)c(OC)cc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CC1CCCO1)C3.
What is the InChIKey of (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is RQMLISIONZIXHR-RMORIDSASA-N. The full InChI is InChI=1S/C26H29NO7/c1-15-8-20-18(13-27(14-33-20)12-17-6-5-7-32-17)26-24(15)25(28)23(34-26)10-16-9-21(30-3)22(31-4)11-19(16)29-2/h8-11,17H,5-7,12-14H2,1-4H3/b23-10-.
What are the key properties of (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 467.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-8-(oxolan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 110276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).