(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one

C26H25FN2O3 — CID 52946208

IUPAC(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
SMILESCc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCCN3CCOCC3)c1-2
InChIInChI=1S/C26H25FN2O3/c1-17-14-18(15-22-21-16-19(27)6-7-23(21)28-26(22)30)20-4-2-3-5-24(25(17)20)32-13-10-29-8-11-31-12-9-29/h2-7,14-16H,8-13H2,1H3,(H,28,30)/b22-15-
InChIKeyCTTXJZSRPYTLCR-JCMHNJIXSA-N
MW432.50 g/mol
LogP4.44
Rot. Bonds5

About (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one (PubChem CID 52946208) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
PubChem CID52946208
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
SMILESCc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCCN3CCOCC3)c1-2
InChIInChI=1S/C26H25FN2O3/c1-17-14-18(15-22-21-16-19(27)6-7-23(21)28-26(22)30)20-4-2-3-5-24(25(17)20)32-13-10-29-8-11-31-12-9-29/h2-7,14-16H,8-13H2,1H3,(H,28,30)/b22-15-
InChIKeyCTTXJZSRPYTLCR-JCMHNJIXSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 68580753
(3E)-3-[[4-[3-(diethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 52942593
3-[[3,5-dimethyl-4-(2-morpholin-4-ylethylamino)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 123669494
5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 141375492
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
(3E)-5-bromo-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500316
(3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 68580347
(3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 52949935
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
(3Z)-3-[[4-[(cyclopropylmethylamino)methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylsulfonyl]-1H-indol-2-one
CID 66605333
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
CID 170549572

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one (CID 52946208) is (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one is Cc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCCN3CCOCC3)c1-2.
What is the InChIKey of (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one?
The InChIKey is CTTXJZSRPYTLCR-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-17-14-18(15-22-21-16-19(27)6-7-23(21)28-26(22)30)20-4-2-3-5-24(25(17)20)32-13-10-29-8-11-31-12-9-29/h2-7,14-16H,8-13H2,1H3,(H,28,30)/b22-15-.
What are the key properties of (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one has a molecular weight of 432.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 52946208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).