3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one

C22H19NO2 — CID 964278

IUPAC3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
SMILESCCOc1ccc(C=C2C(=O)N(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C22H19NO2/c1-3-25-21-13-12-15(16-8-4-5-10-18(16)21)14-19-17-9-6-7-11-20(17)23(2)22(19)24/h4-14H,3H2,1-2H3
InChIKeyQEGFSDOPXQKSCF-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.76
Rot. Bonds3

About 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one

3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one (PubChem CID 964278) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
PubChem CID964278
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
SMILESCCOc1ccc(C=C2C(=O)N(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C22H19NO2/c1-3-25-21-13-12-15(16-8-4-5-10-18(16)21)14-19-17-9-6-7-11-20(17)23(2)22(19)24/h4-14H,3H2,1-2H3
InChIKeyQEGFSDOPXQKSCF-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
CID 2174504
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126120865
(3Z)-3-[(1-benzylindol-3-yl)methylidene]-1-methylindol-2-one
CID 5293756
(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one
CID 7972081
(5E)-1-(3,5-dimethylphenyl)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126021100
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 46499254
3-[(4-bromo-2-fluorophenyl)methylidene]-1-methylindol-2-one
CID 78497428

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one?
The IUPAC name of 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one (CID 964278) is 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one.
What is the SMILES notation for 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one?
The canonical SMILES for 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one is CCOc1ccc(C=C2C(=O)N(C)c3ccccc32)c2ccccc12.
What is the InChIKey of 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one?
The InChIKey is QEGFSDOPXQKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-3-25-21-13-12-15(16-8-4-5-10-18(16)21)14-19-17-9-6-7-11-20(17)23(2)22(19)24/h4-14H,3H2,1-2H3.
What are the key properties of 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one?
3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one is sourced from PubChem (CID 964278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).