3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile

C19H18N2O4 — CID 10688384

IUPAC3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile
SMILESCOc1cccc(CN2C(=O)C(OC)(OC)c3cc(C#N)ccc32)c1
InChIInChI=1S/C19H18N2O4/c1-23-15-6-4-5-14(9-15)12-21-17-8-7-13(11-20)10-16(17)19(24-2,25-3)18(21)22/h4-10H,12H2,1-3H3
InChIKeyWILKFUBDESMTKB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.56
Rot. Bonds5

About 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile

3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile (PubChem CID 10688384) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile
PubChem CID10688384
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile
SMILESCOc1cccc(CN2C(=O)C(OC)(OC)c3cc(C#N)ccc32)c1
InChIInChI=1S/C19H18N2O4/c1-23-15-6-4-5-14(9-15)12-21-17-8-7-13(11-20)10-16(17)19(24-2,25-3)18(21)22/h4-10H,12H2,1-3H3
InChIKeyWILKFUBDESMTKB-UHFFFAOYSA-N
XLogP2.56
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile 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

3-[[(2R)-3-acetyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187538
3-[[(2R)-5'-methoxy-3-(3-methoxybenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187574
3-[[(2S)-5'-methoxy-3-(3-methoxybenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187575
3-[[(2R)-3-(cyclobutanecarbonyl)-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187542
3-[[5'-methoxy-3-(2-methylbenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 46017439
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
3-[[(2R)-3-(2-fluorobenzoyl)-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187560
(2S)-1'-[(3-cyanophenyl)methyl]-5'-methoxy-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185947
3-[[(2R)-3-(2-methoxyacetyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187409
3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
CID 24714519
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 104843645
4-[(2E)-2-[1-[(3-methoxyphenyl)methyl]-5-oxo-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile
CID 21255340

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile?
The IUPAC name of 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile (CID 10688384) is 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile.
What is the SMILES notation for 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile?
The canonical SMILES for 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile is COc1cccc(CN2C(=O)C(OC)(OC)c3cc(C#N)ccc32)c1.
What is the InChIKey of 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile?
The InChIKey is WILKFUBDESMTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-6-4-5-14(9-15)12-21-17-8-7-13(11-20)10-16(17)19(24-2,25-3)18(21)22/h4-10H,12H2,1-3H3.
What are the key properties of 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile?
3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile has a molecular weight of 338.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1-[(3-methoxyphenyl)methyl]-2-oxoindole-5-carbonitrile is sourced from PubChem (CID 10688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).