(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one

C22H25N2O5+ — CID 7288185

IUPAC(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24N2O5/c1-28-20-9-5-2-6-16(20)19(25)14-22(27)17-7-3-4-8-18(17)24(21(22)26)15-23-10-12-29-13-11-23/h2-9,27H,10-15H2,1H3/p+1/t22-/m1/s1
InChIKeyCMAILNQHTLWMSV-JOCHJYFZSA-O
MW397.45 g/mol
LogP0.38
Rot. Bonds6

About (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one

(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one (PubChem CID 7288185) has the molecular formula C22H25N2O5+ and a molecular weight of 397.45 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
PubChem CID7288185
Molecular FormulaC22H25N2O5+
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
SMILESCOc1ccccc1C(=O)C[C@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24N2O5/c1-28-20-9-5-2-6-16(20)19(25)14-22(27)17-7-3-4-8-18(17)24(21(22)26)15-23-10-12-29-13-11-23/h2-9,27H,10-15H2,1H3/p+1/t22-/m1/s1
InChIKeyCMAILNQHTLWMSV-JOCHJYFZSA-O
XLogP0.38
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one with MolForge

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Related Compounds

(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7334070
3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
CID 5053139
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288175
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 796057
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 5212720
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118553
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
(3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 7647831
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one (CID 7288185) is (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one is COc1ccccc1C(=O)C[C@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one?
The InChIKey is CMAILNQHTLWMSV-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H24N2O5/c1-28-20-9-5-2-6-16(20)19(25)14-22(27)17-7-3-4-8-18(17)24(21(22)26)15-23-10-12-29-13-11-23/h2-9,27H,10-15H2,1H3/p+1/t22-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one?
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one has a molecular weight of 397.45 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one is sourced from PubChem (CID 7288185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).