(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol

C26H32N2O5 — CID 71779823

IUPAC(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
SMILESCC(C)O.O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(CCN2CCOCC2)CO1
InChIInChI=1S/C23H24N2O4.C3H8O/c26-22-18-6-7-20-19(23(18)29-21(22)14-17-4-2-1-3-5-17)15-25(16-28-20)9-8-24-10-12-27-13-11-24;1-3(2)4/h1-7,14H,8-13,15-16H2;3-4H,1-2H3/b21-14-;
InChIKeyOHMUGMNVVFBLKY-UXTSPRGOSA-N
MW452.55 g/mol
LogP3.17
Rot. Bonds4

About (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol

(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol (PubChem CID 71779823) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol.

Molecular Properties

Compound Name(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
PubChem CID71779823
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
SMILESCC(C)O.O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(CCN2CCOCC2)CO1
InChIInChI=1S/C23H24N2O4.C3H8O/c26-22-18-6-7-20-19(23(18)29-21(22)14-17-4-2-1-3-5-17)15-25(16-28-20)9-8-24-10-12-27-13-11-24;1-3(2)4/h1-7,14H,8-13,15-16H2;3-4H,1-2H3/b21-14-;
InChIKeyOHMUGMNVVFBLKY-UXTSPRGOSA-N
XLogP3.17
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol?
The IUPAC name of (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol (CID 71779823) is (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol.
What is the SMILES notation for (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol?
The canonical SMILES for (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol is CC(C)O.O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(CCN2CCOCC2)CO1.
What is the InChIKey of (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol?
The InChIKey is OHMUGMNVVFBLKY-UXTSPRGOSA-N. The full InChI is InChI=1S/C23H24N2O4.C3H8O/c26-22-18-6-7-20-19(23(18)29-21(22)14-17-4-2-1-3-5-17)15-25(16-28-20)9-8-24-10-12-27-13-11-24;1-3(2)4/h1-7,14H,8-13,15-16H2;3-4H,1-2H3/b21-14-;.
What are the key properties of (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol?
(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol has a molecular weight of 452.55 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol is sourced from PubChem (CID 71779823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).