(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one

C22H18ClNO3 — CID 21370152

IUPAC(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
SMILESCOCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc12
InChIInChI=1S/C22H18ClNO3/c1-26-10-11-27-21-9-6-14(16-4-2-3-5-18(16)21)12-19-17-8-7-15(23)13-20(17)24-22(19)25/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b19-12+
InChIKeyLZNCXFALXRYYJE-XDHOZWIPSA-N
MW379.84 g/mol
LogP5.01
Rot. Bonds5

About (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one

(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one (PubChem CID 21370152) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
PubChem CID21370152
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
SMILESCOCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc12
InChIInChI=1S/C22H18ClNO3/c1-26-10-11-27-21-9-6-14(16-4-2-3-5-18(16)21)12-19-17-8-7-15(23)13-20(17)24-22(19)25/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b19-12+
InChIKeyLZNCXFALXRYYJE-XDHOZWIPSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
(3Z)-6-chloro-3-[[5-chloro-2-(methylsulfinylmethoxy)phenyl]methylidene]-1H-indol-2-one
CID 131728300
(3E)-6-chloro-3-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 21370180
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571
6-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 4809559
2-[3-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 21370038
(3E)-3-[(2-bromo-4-butoxy-5-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 21370163
(3E)-6-chloro-3-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6276779
(3E)-6-chloro-3-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 21370122
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
6-chloro-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 4102790

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one (CID 21370152) is (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one is COCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc12.
What is the InChIKey of (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The InChIKey is LZNCXFALXRYYJE-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-26-10-11-27-21-9-6-14(16-4-2-3-5-18(16)21)12-19-17-8-7-15(23)13-20(17)24-22(19)25/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b19-12+.
What are the key properties of (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one has a molecular weight of 379.84 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 21370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).