3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

C21H20ClN3O2 — CID 59393526

IUPAC3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(Cl)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C21H20ClN3O2/c1-4-14-9-15-5-6-16(10-17(15)24-20(14)26)21(2,12-23)11-13-7-18(22)25-19(8-13)27-3/h5-10H,4,11H2,1-3H3,(H,24,26)
InChIKeyRGHNRVAPXXBEJO-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.17
Rot. Bonds5

About 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (PubChem CID 59393526) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
PubChem CID59393526
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(Cl)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C21H20ClN3O2/c1-4-14-9-15-5-6-16(10-17(15)24-20(14)26)21(2,12-23)11-13-7-18(22)25-19(8-13)27-3/h5-10H,4,11H2,1-3H3,(H,24,26)
InChIKeyRGHNRVAPXXBEJO-UHFFFAOYSA-N
XLogP4.17
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-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

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
CID 70290208
4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
CID 59393310
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 59393338
2-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyrimidine-4-carbonitrile
CID 59393007
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
3-[4-(1,1-difluoroethyl)phenyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 145469749
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-(methoxymethyl)phenyl]-2-methylpropanenitrile
CID 59393308
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
CID 59393271
2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)butanenitrile
CID 59393295
3-[2-chloro-6-(2-methoxyethoxy)pyrimidin-4-yl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59393485
3-(3,4-difluorophenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59392991
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropanenitrile
CID 59393456

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (CID 59393526) is 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(Cl)nc(OC)c3)cc2[nH]c1=O.
What is the InChIKey of 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The InChIKey is RGHNRVAPXXBEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-4-14-9-15-5-6-16(10-17(15)24-20(14)26)21(2,12-23)11-13-7-18(22)25-19(8-13)27-3/h5-10H,4,11H2,1-3H3,(H,24,26).
What are the key properties of 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile has a molecular weight of 381.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59393526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).