3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one

C11H14ClN3O — CID 82237705

IUPAC3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
SMILESCN(CCN)C1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN3O/c1-15(5-4-13)10-8-3-2-7(12)6-9(8)14-11(10)16/h2-3,6,10H,4-5,13H2,1H3,(H,14,16)
InChIKeyQAZISIRDJCAGBX-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.22
Rot. Bonds3

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

3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 82237705) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
PubChem CID82237705
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
SMILESCN(CCN)C1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN3O/c1-15(5-4-13)10-8-3-2-7(12)6-9(8)14-11(10)16/h2-3,6,10H,4-5,13H2,1H3,(H,14,16)
InChIKeyQAZISIRDJCAGBX-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 91315699
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51971626
7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 105463693
4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82158219
7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one
CID 175622515
6-chloro-3-[C-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 90689200
3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 63369833

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one (CID 82237705) is 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one is CN(CCN)C1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is QAZISIRDJCAGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15(5-4-13)10-8-3-2-7(12)6-9(8)14-11(10)16/h2-3,6,10H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one?
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82237705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).