7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one

C11H13ClN2O2 — CID 82497169

IUPAC7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(C)c2c(Cl)ccc(OC)c21
InChIInChI=1S/C11H13ClN2O2/c1-13-9-8-7(16-3)5-4-6(12)10(8)14(2)11(9)15/h4-5,9,13H,1-3H3
InChIKeyTWSLNQUXPXNSSX-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.59
Rot. Bonds2

About 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one

7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one (PubChem CID 82497169) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one
PubChem CID82497169
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(C)c2c(Cl)ccc(OC)c21
InChIInChI=1S/C11H13ClN2O2/c1-13-9-8-7(16-3)5-4-6(12)10(8)14(2)11(9)15/h4-5,9,13H,1-3H3
InChIKeyTWSLNQUXPXNSSX-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one?
The IUPAC name of 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one (CID 82497169) is 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one?
The canonical SMILES for 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one is CNC1C(=O)N(C)c2c(Cl)ccc(OC)c21.
What is the InChIKey of 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one?
The InChIKey is TWSLNQUXPXNSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-13-9-8-7(16-3)5-4-6(12)10(8)14(2)11(9)15/h4-5,9,13H,1-3H3.
What are the key properties of 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one?
7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 82497169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).