6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one

C16H20ClN3O — CID 43691755

IUPAC6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCN1C2CCC1CC(Nc1cc3c(cc1Cl)NC(=O)C3)C2
InChIInChI=1S/C16H20ClN3O/c1-20-11-2-3-12(20)7-10(6-11)18-15-4-9-5-16(21)19-14(9)8-13(15)17/h4,8,10-12,18H,2-3,5-7H2,1H3,(H,19,21)
InChIKeySLJXGQIFJPQFRR-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one

6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 43691755) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one
PubChem CID43691755
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCN1C2CCC1CC(Nc1cc3c(cc1Cl)NC(=O)C3)C2
InChIInChI=1S/C16H20ClN3O/c1-20-11-2-3-12(20)7-10(6-11)18-15-4-9-5-16(21)19-14(9)8-13(15)17/h4,8,10-12,18H,2-3,5-7H2,1H3,(H,19,21)
InChIKeySLJXGQIFJPQFRR-UHFFFAOYSA-N
XLogP2.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 64751941
6-chloro-5-[(3-methylcyclopentyl)amino]-1,3-dihydroindol-2-one
CID 64502307
6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
CID 106821342
6-chloro-5-[(1-oxothian-4-yl)amino]-1,3-dihydroindol-2-one
CID 54981279
6-chloro-5-[(1-ethylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 43691705
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 79458648
6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
CID 65084091
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
N-(2-chloro-4,5-dimethoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43712464
6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43691672
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one (CID 43691755) is 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one is CN1C2CCC1CC(Nc1cc3c(cc1Cl)NC(=O)C3)C2.
What is the InChIKey of 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is SLJXGQIFJPQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20-11-2-3-12(20)7-10(6-11)18-15-4-9-5-16(21)19-14(9)8-13(15)17/h4,8,10-12,18H,2-3,5-7H2,1H3,(H,19,21).
What are the key properties of 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one?
6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 305.81 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).