(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

C25H23ClN2O4 — CID 59190140

IUPAC(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1
InChIInChI=1S/C25H23ClN2O4/c26-18-3-7-23-21(15-18)22(25(29)27-23)16-20-6-8-24(32-20)17-1-4-19(5-2-17)31-14-11-28-9-12-30-13-10-28/h1-8,15-16H,9-14H2,(H,27,29)/b22-16-
InChIKeyDZFDDSWWEYDALN-JWGURIENSA-N
MW450.92 g/mol
LogP4.80
Rot. Bonds6

About (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 59190140) has the molecular formula C25H23ClN2O4 and a molecular weight of 450.92 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID59190140
Molecular FormulaC25H23ClN2O4
Molecular Weight450.92 g/mol
Exact Mass450.13
IUPAC Name(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1
InChIInChI=1S/C25H23ClN2O4/c26-18-3-7-23-21(15-18)22(25(29)27-23)16-20-6-8-24(32-20)17-1-4-19(5-2-17)31-14-11-28-9-12-30-13-10-28/h1-8,15-16H,9-14H2,(H,27,29)/b22-16-
InChIKeyDZFDDSWWEYDALN-JWGURIENSA-N
XLogP4.80
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (CID 59190140) is (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccc(OCCN3CCOCC3)cc2)o1.
What is the InChIKey of (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is DZFDDSWWEYDALN-JWGURIENSA-N. The full InChI is InChI=1S/C25H23ClN2O4/c26-18-3-7-23-21(15-18)22(25(29)27-23)16-20-6-8-24(32-20)17-1-4-19(5-2-17)31-14-11-28-9-12-30-13-10-28/h1-8,15-16H,9-14H2,(H,27,29)/b22-16-.
What are the key properties of (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 450.92 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 59190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).