5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

C15H14ClN3O2 — CID 79344550

IUPAC5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3ccc(C)nc3)c(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-8-3-4-9(7-18-8)21-13-6-12-10(5-11(13)16)14(17-2)15(20)19-12/h3-7,14,17H,1-2H3,(H,19,20)
InChIKeyWUNNUFMDCBJDIR-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (PubChem CID 79344550) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
PubChem CID79344550
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3ccc(C)nc3)c(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-8-3-4-9(7-18-8)21-13-6-12-10(5-11(13)16)14(17-2)15(20)19-12/h3-7,14,17H,1-2H3,(H,19,20)
InChIKeyWUNNUFMDCBJDIR-UHFFFAOYSA-N
XLogP3.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.05
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
5-(((S)-1-(6-chloro-2-oxo-7-((R)-1-(pyridin-2-yl)ethoxy)-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955433
N-[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 118965796
N-[[5-chloro-6-[(5-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171517869
N-[[5-chloro-6-[(4-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171517891
N-[[5-chloro-6-[(3-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518897
(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
CID 172654621
5-Chloro-3-hydroxy-3-(3-methoxy-pyridin-2-yl)-1,3-dihydro-indol-2-one
CID 57517760
5-{2-Chloro-4-[(3-methylbutylamino)methyl]phenoxy}pyridine-2-carboxamide
CID 59729973
5-(2-Chloro-4-(pentylaminomethyl)phenoxy)pyridine-2-carboxamide
CID 59730082
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (CID 79344550) is 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3ccc(C)nc3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is WUNNUFMDCBJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-8-3-4-9(7-18-8)21-13-6-12-10(5-11(13)16)14(17-2)15(20)19-12/h3-7,14,17H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.05, 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-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).