4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide

C23H20N2O4 — CID 3743192

IUPAC4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccc1)C2C(=O)Nc1ccccc1
InChIInChI=1S/C23H20N2O4/c1-28-18-14-13-17-19(21(18)29-2)23(27)25(16-11-7-4-8-12-16)20(17)22(26)24-15-9-5-3-6-10-15/h3-14,20H,1-2H3,(H,24,26)
InChIKeyKTJMVFDEUPSDTA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.04
Rot. Bonds5

About 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide

4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide (PubChem CID 3743192) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
PubChem CID3743192
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccc1)C2C(=O)Nc1ccccc1
InChIInChI=1S/C23H20N2O4/c1-28-18-14-13-17-19(21(18)29-2)23(27)25(16-11-7-4-8-12-16)20(17)22(26)24-15-9-5-3-6-10-15/h3-14,20H,1-2H3,(H,24,26)
InChIKeyKTJMVFDEUPSDTA-UHFFFAOYSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide 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

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetic acid
CID 91636968
6-(4-bromophenyl)-9,10-dimethoxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 57383941
9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3798136
N-(4-acetamidophenyl)-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 45370828
N-(3-acetylphenyl)-3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanamide
CID 127255076
4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
CID 2968008
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-pyridin-2-ylacetamide
CID 102565073
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
3-hydroxy-4,5-dimethoxy-2-phenyl-3H-isoindol-1-one
CID 139217737
2-[5-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 136829365
2-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-prop-2-enylacetamide
CID 99987284
3-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-benzylpropanamide
CID 99995857

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide?
The IUPAC name of 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide (CID 3743192) is 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide.
What is the SMILES notation for 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide?
The canonical SMILES for 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide is COc1ccc2c(c1OC)C(=O)N(c1ccccc1)C2C(=O)Nc1ccccc1.
What is the InChIKey of 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide?
The InChIKey is KTJMVFDEUPSDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-18-14-13-17-19(21(18)29-2)23(27)25(16-11-7-4-8-12-16)20(17)22(26)24-15-9-5-3-6-10-15/h3-14,20H,1-2H3,(H,24,26).
What are the key properties of 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide?
4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3743192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).