5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one

C14H12ClN3O2 — CID 79348864

IUPAC5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21
InChIInChI=1S/C14H12ClN3O2/c1-16-13-9-5-10(15)12(6-11(9)18-14(13)19)20-8-3-2-4-17-7-8/h2-7,13,16H,1H3,(H,18,19)
InChIKeyBHOWTUOENPARCJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one (PubChem CID 79348864) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
PubChem CID79348864
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21
InChIInChI=1S/C14H12ClN3O2/c1-16-13-9-5-10(15)12(6-11(9)18-14(13)19)20-8-3-2-4-17-7-8/h2-7,13,16H,1H3,(H,18,19)
InChIKeyBHOWTUOENPARCJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 118955394
N-[1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-2-(2-oxo-3H-indol-1-yl)acetamide
CID 166335283
3-Amino-5-chloro-3-(2-ethoxypyridin-3-yl)-1,3-dihydroindol-2-one
CID 67087991
(S)-3-(1-aminoethyl)-6-chloro-7-(pyridine-2-ylmethoxy)quinolin-2-(1H)-one
CID 118953623
3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953625
3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)quinolin-2(1H)-one hydrochloride
CID 118953721
3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
CID 118953728
3-((S)-1-aminoethyl)-6-chloro-7-((R)-1-(pyridin-2-yl)ethoxy)quinolin-2(1H)-one hydrochloride
CID 118953782
5-[[(1R)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 118955391
6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118955422
5-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 118955432
3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide
CID 118955636

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one (CID 79348864) is 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The InChIKey is BHOWTUOENPARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-16-13-9-5-10(15)12(6-11(9)18-14(13)19)20-8-3-2-4-17-7-8/h2-7,13,16H,1H3,(H,18,19).
What are the key properties of 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one has a molecular weight of 289.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).