5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

C19H19ClN2O — CID 57262943

IUPAC5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(Cl)cc43)cc21
InChIInChI=1S/C19H19ClN2O/c1-2-11-4-3-5-17-14(11)9-13(21-17)10-16-15-8-12(20)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23)
InChIKeyAFRDBCSSPQEJJW-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.99
Rot. Bonds2

About 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one

5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57262943) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
PubChem CID57262943
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
SMILESCCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(Cl)cc43)cc21
InChIInChI=1S/C19H19ClN2O/c1-2-11-4-3-5-17-14(11)9-13(21-17)10-16-15-8-12(20)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23)
InChIKeyAFRDBCSSPQEJJW-UHFFFAOYSA-N
XLogP4.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57269263
2-[2-[(5-butyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-4-yl]acetic acid
CID 57097106
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
(3E)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 5353977
5-chloro-7-methyl-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57247693
5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57277702
(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
(3E)-5-chloro-3-[(2,4,6-trimethylphenyl)methylidene]-1H-indol-2-one
CID 112979123
2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57086816
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one (CID 57262943) is 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is CCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(Cl)cc43)cc21.
What is the InChIKey of 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is AFRDBCSSPQEJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-2-11-4-3-5-17-14(11)9-13(21-17)10-16-15-8-12(20)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23).
What are the key properties of 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one?
5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 326.83 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57262943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).