methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate

C19H19NO5 — CID 102310906

IUPACmethyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H19NO5/c1-20-14-8-6-5-7-13(14)19(17(20)21,18(22)25-4)12-9-10-15(23-2)16(11-12)24-3/h5-11H,1-4H3/t19-/m0/s1
InChIKeyZHBIHZDJERONAX-IBGZPJMESA-N
MW341.36 g/mol
LogP2.14
Rot. Bonds4

About methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate

methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate (PubChem CID 102310906) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate
PubChem CID102310906
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H19NO5/c1-20-14-8-6-5-7-13(14)19(17(20)21,18(22)25-4)12-9-10-15(23-2)16(11-12)24-3/h5-11H,1-4H3/t19-/m0/s1
InChIKeyZHBIHZDJERONAX-IBGZPJMESA-N
XLogP2.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
CID 2893867
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53057385
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
1'-[4-(3,4-dimethoxyphenyl)-4-oxobutyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70592114
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
4-(3,4-dimethoxyphenyl)-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 4121786
N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767802
3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 2972311
methyl 2-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 86045599

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate?
The IUPAC name of methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate (CID 102310906) is methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate.
What is the SMILES notation for methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate?
The canonical SMILES for methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate is COC(=O)[C@]1(c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate?
The InChIKey is ZHBIHZDJERONAX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO5/c1-20-14-8-6-5-7-13(14)19(17(20)21,18(22)25-4)12-9-10-15(23-2)16(11-12)24-3/h5-11H,1-4H3/t19-/m0/s1.
What are the key properties of methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate?
methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate is sourced from PubChem (CID 102310906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).