(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

C23H17FN2O3 — CID 25282737

IUPAC(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESO=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1
InChIInChI=1S/C23H17FN2O3/c24-16-5-3-4-15(10-16)11-21-22(27)18-7-8-20-19(23(18)29-21)13-26(14-28-20)12-17-6-1-2-9-25-17/h1-11H,12-14H2/b21-11-
InChIKeyPWBQTBWODDJPCZ-NHDPSOOVSA-N
MW388.40 g/mol
LogP4.19
Rot. Bonds3

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

(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 25282737) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID25282737
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESO=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1
InChIInChI=1S/C23H17FN2O3/c24-16-5-3-4-15(10-16)11-21-22(27)18-7-8-20-19(23(18)29-21)13-26(14-28-20)12-17-6-1-2-9-25-17/h1-11H,12-14H2/b21-11-
InChIKeyPWBQTBWODDJPCZ-NHDPSOOVSA-N
XLogP4.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 54576041
(2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 60155700
(2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 60155702
(Z)-2-[(1H-indol-3-yl)methylene]-6-ethoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
CID 60155697
(Z)-2-[(1H-indol-3-yl)methylene]-7-(piperazin-1-ylmethyl)-6-propoxybenzofuran-3(2H)-one
CID 60155698
(Z)-2-[(1H-indol-3-yl)methylene]-6-(benzyloxy)-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
CID 60155699
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]chromen-4-one
CID 164613047
(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate
CID 1832662
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate
CID 2012042
1-Methoxy-7-(2-pyridin-2-ylethynyl)xanthen-9-one
CID 24818804
7-Methoxy-2-phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 44266320
2-[(1-Ethylindol-3-yl)methylidene]-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 44522229

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (CID 25282737) is (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1.
What is the InChIKey of (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is PWBQTBWODDJPCZ-NHDPSOOVSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-16-5-3-4-15(10-16)11-21-22(27)18-7-8-20-19(23(18)29-21)13-26(14-28-20)12-17-6-1-2-9-25-17/h1-11H,12-14H2/b21-11-.
What are the key properties of (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 388.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-fluorophenyl)methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 25282737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).