(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one

C21H15ClN2O2 — CID 172654621

IUPAC(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C21H15ClN2O2/c22-15-6-9-20-18(12-15)19(21(25)24-20)11-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-12H,13H2,(H,24,25)/b19-11-
InChIKeyXGLXLLQTXZYXSI-ODLFYWEKSA-N
MW362.82 g/mol
LogP4.81
Rot. Bonds4

About (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 172654621) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID172654621
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C21H15ClN2O2/c22-15-6-9-20-18(12-15)19(21(25)24-20)11-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-12H,13H2,(H,24,25)/b19-11-
InChIKeyXGLXLLQTXZYXSI-ODLFYWEKSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-[4-(3-pyridinyloxy)phenyl]benzamide
CID 806456
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
Benzamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-
CID 71449489
3-chloro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776473
Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-
CID 10065770
Luf7244
CID 127042386
(5-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724980
3-chloro-N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 76335725
(3E)-3-[[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708841
6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196398
(3-chlorophenyl)-[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 156021566
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-phenoxybenzamide
CID 67973697

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one (CID 172654621) is (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is XGLXLLQTXZYXSI-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-15-6-9-20-18(12-15)19(21(25)24-20)11-14-4-7-17(8-5-14)26-13-16-3-1-2-10-23-16/h1-12H,13H2,(H,24,25)/b19-11-.
What are the key properties of (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 362.82 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 172654621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).