3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

C19H15Cl2N3O — CID 118607174

IUPAC3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3cc(Cl)nc(Cl)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C19H15Cl2N3O/c20-15-9-11(10-16(21)24-15)18-19(22-12-5-2-1-3-6-12)17-13(23-18)7-4-8-14(17)25/h1-3,5-6,9-10,22-23H,4,7-8H2
InChIKeyRNAZJWFOFJSQCA-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.65
Rot. Bonds3

About 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 118607174) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID118607174
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3cc(Cl)nc(Cl)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C19H15Cl2N3O/c20-15-9-11(10-16(21)24-15)18-19(22-12-5-2-1-3-6-12)17-13(23-18)7-4-8-14(17)25/h1-3,5-6,9-10,22-23H,4,7-8H2
InChIKeyRNAZJWFOFJSQCA-UHFFFAOYSA-N
XLogP5.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (CID 118607174) is 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is O=C1CCCc2[nH]c(-c3cc(Cl)nc(Cl)c3)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is RNAZJWFOFJSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-15-9-11(10-16(21)24-15)18-19(22-12-5-2-1-3-6-12)17-13(23-18)7-4-8-14(17)25/h1-3,5-6,9-10,22-23H,4,7-8H2.
What are the key properties of 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 372.26 g/mol, XLogP of 5.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 118607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).