3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

C14H12ClN3O2 — CID 79349655

IUPAC3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESCc1ccc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1
InChIInChI=1S/C14H12ClN3O2/c1-7-2-3-8(6-17-7)20-12-5-11-9(4-10(12)15)13(16)14(19)18-11/h2-6,13H,16H2,1H3,(H,18,19)
InChIKeyZHOPVXHGXWRWLE-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.79
Rot. Bonds2

About 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (PubChem CID 79349655) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
PubChem CID79349655
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESCc1ccc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1
InChIInChI=1S/C14H12ClN3O2/c1-7-2-3-8(6-17-7)20-12-5-11-9(4-10(12)15)13(16)14(19)18-11/h2-6,13H,16H2,1H3,(H,18,19)
InChIKeyZHOPVXHGXWRWLE-UHFFFAOYSA-N
XLogP2.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (CID 79349655) is 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is Cc1ccc(Oc2cc3c(cc2Cl)C(N)C(=O)N3)cn1.
What is the InChIKey of 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is ZHOPVXHGXWRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-2-3-8(6-17-7)20-12-5-11-9(4-10(12)15)13(16)14(19)18-11/h2-6,13H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 289.72 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).