3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile

C24H21N3O3 — CID 59393229

IUPAC3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)CN3C(=O)c4ccccc4C3=O)cc2nc1OC
InChIInChI=1S/C24H21N3O3/c1-4-15-11-16-9-10-17(12-20(16)26-21(15)30-3)24(2,13-25)14-27-22(28)18-7-5-6-8-19(18)23(27)29/h5-12H,4,14H2,1-3H3
InChIKeyDATABPUMONWDSR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.88
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile

3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile (PubChem CID 59393229) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
PubChem CID59393229
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)CN3C(=O)c4ccccc4C3=O)cc2nc1OC
InChIInChI=1S/C24H21N3O3/c1-4-15-11-16-9-10-17(12-20(16)26-21(15)30-3)24(2,13-25)14-27-22(28)18-7-5-6-8-19(18)23(27)29/h5-12H,4,14H2,1-3H3
InChIKeyDATABPUMONWDSR-UHFFFAOYSA-N
XLogP3.88
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile 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-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
(5Z,7E)-2-(3-ethyl-2-methoxyquinolin-7-yl)-8-iodo-2-methyl-4-methylidenenona-5,7-dienenitrile
CID 145469826
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
(3-ethyl-2-methoxyquinolin-7-yl)-phenylmethanone
CID 59393104
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
CID 59393260
3-[4,6-bis(dimethylamino)pyrimidin-2-yl]-2-(3-ethyl-2-phosphanylquinolin-7-yl)-2-methylpropanenitrile
CID 70290227
(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
CID 70289156
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
CID 59393071
3-(2-chloro-6-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;3-(6-chloro-2-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;methane
CID 161090660
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile (CID 59393229) is 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)CN3C(=O)c4ccccc4C3=O)cc2nc1OC.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
The InChIKey is DATABPUMONWDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-4-15-11-16-9-10-17(12-20(16)26-21(15)30-3)24(2,13-25)14-27-22(28)18-7-5-6-8-19(18)23(27)29/h5-12H,4,14H2,1-3H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile?
3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile has a molecular weight of 399.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59393229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).