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

C14H17ClN2O3 — CID 82743091

IUPAC5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCC1OCCC1N(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H17ClN2O3/c1-7-11(3-4-20-7)17(2)12-6-10-8(5-9(12)15)13(18)14(19)16-10/h5-7,11,13,18H,3-4H2,1-2H3,(H,16,19)
InChIKeyDGZIPBDSVNPRRX-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.94
Rot. Bonds2

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

5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 82743091) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one
PubChem CID82743091
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCC1OCCC1N(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H17ClN2O3/c1-7-11(3-4-20-7)17(2)12-6-10-8(5-9(12)15)13(18)14(19)16-10/h5-7,11,13,18H,3-4H2,1-2H3,(H,16,19)
InChIKeyDGZIPBDSVNPRRX-UHFFFAOYSA-N
XLogP1.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.94
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-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 79345000
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-fluoro-3-hydroxy-6-[methyl(oxan-4-yl)amino]-1,3-dihydroindol-2-one
CID 80758859
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79344998
5-chloro-6-(N-ethylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79345004
5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335937
(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742935
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
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-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one (CID 82743091) is 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one is CC1OCCC1N(C)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is DGZIPBDSVNPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-7-11(3-4-20-7)17(2)12-6-10-8(5-9(12)15)13(18)14(19)16-10/h5-7,11,13,18H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[methyl-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 296.75 g/mol, XLogP of 1.94, 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-(2-methyloxolan-3-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82743091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).