(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

C23H20N2O3 — CID 7270818

IUPAC(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESCc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-16-9-11-17(12-10-16)15-25-20-8-3-2-6-18(20)23(28,22(25)27)14-21(26)19-7-4-5-13-24-19/h2-13,28H,14-15H2,1H3/t23-/m0/s1
InChIKeyVUIMQDGBQODAGS-QHCPKHFHSA-N
MW372.42 g/mol
LogP3.40
Rot. Bonds5

About (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one

(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (PubChem CID 7270818) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
PubChem CID7270818
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
SMILESCc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-16-9-11-17(12-10-16)15-25-20-8-3-2-6-18(20)23(28,22(25)27)14-21(26)19-7-4-5-13-24-19/h2-13,28H,14-15H2,1H3/t23-/m0/s1
InChIKeyVUIMQDGBQODAGS-QHCPKHFHSA-N
XLogP3.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7270821
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7282038
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7270819
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131259
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 3747127
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 6589583

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one (CID 7270818) is (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccn3)c3ccccc32)cc1.
What is the InChIKey of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
The InChIKey is VUIMQDGBQODAGS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16-9-11-17(12-10-16)15-25-20-8-3-2-6-18(20)23(28,22(25)27)14-21(26)19-7-4-5-13-24-19/h2-13,28H,14-15H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one?
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one is sourced from PubChem (CID 7270818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).