(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

C23H26N2O6 — CID 1425648

IUPAC(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O6/c1-29-16-7-8-17(21(13-16)30-2)20(26)14-23(28)18-5-3-4-6-19(18)25(22(23)27)15-24-9-11-31-12-10-24/h3-8,13,28H,9-12,14-15H2,1-2H3/t23-/m0/s1
InChIKeyANDIZKBGTDWHGY-QHCPKHFHSA-N
MW426.47 g/mol
LogP1.80
Rot. Bonds7

About (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 1425648) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID1425648
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O6/c1-29-16-7-8-17(21(13-16)30-2)20(26)14-23(28)18-5-3-4-6-19(18)25(22(23)27)15-24-9-11-31-12-10-24/h3-8,13,28H,9-12,14-15H2,1-2H3/t23-/m0/s1
InChIKeyANDIZKBGTDWHGY-QHCPKHFHSA-N
XLogP1.80
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one (CID 1425648) is (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)c1.
What is the InChIKey of (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is ANDIZKBGTDWHGY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-29-16-7-8-17(21(13-16)30-2)20(26)14-23(28)18-5-3-4-6-19(18)25(22(23)27)15-24-9-11-31-12-10-24/h3-8,13,28H,9-12,14-15H2,1-2H3/t23-/m0/s1.
What are the key properties of (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one?
(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 426.47 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 1425648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).