5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one

C15H20ClN3O2 — CID 79345000

IUPAC5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCN1CCC(N(C)c2cc3c(cc2Cl)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H20ClN3O2/c1-18-5-3-9(4-6-18)19(2)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,20H,3-6H2,1-2H3,(H,17,21)
InChIKeyYFIIMGKOKKJBEO-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.86
Rot. Bonds2

About 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 79345000) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
PubChem CID79345000
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCN1CCC(N(C)c2cc3c(cc2Cl)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H20ClN3O2/c1-18-5-3-9(4-6-18)19(2)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,20H,3-6H2,1-2H3,(H,17,21)
InChIKeyYFIIMGKOKKJBEO-UHFFFAOYSA-N
XLogP1.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one
CID 82743091
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758932
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
5-fluoro-3-hydroxy-6-[methyl(oxan-4-yl)amino]-1,3-dihydroindol-2-one
CID 80758859
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-fluoro-3-hydroxy-6-[methyl(thiolan-3-yl)amino]-1,3-dihydroindol-2-one
CID 80758489
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79344998
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one (CID 79345000) is 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one is CN1CCC(N(C)c2cc3c(cc2Cl)C(O)C(=O)N3)CC1.
What is the InChIKey of 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YFIIMGKOKKJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18-5-3-9(4-6-18)19(2)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,20H,3-6H2,1-2H3,(H,17,21).
What are the key properties of 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 309.80 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79345000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).