2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile

C18H19N5O — CID 59392960

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3nncn3C)cc2[nH]c1=O
InChIInChI=1S/C18H19N5O/c1-4-12-7-13-5-6-14(8-15(13)21-17(12)24)18(2,10-19)9-16-22-20-11-23(16)3/h5-8,11H,4,9H2,1-3H3,(H,21,24)
InChIKeyDKGKNEAYGLSKNZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile (PubChem CID 59392960) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile
PubChem CID59392960
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3nncn3C)cc2[nH]c1=O
InChIInChI=1S/C18H19N5O/c1-4-12-7-13-5-6-14(8-15(13)21-17(12)24)18(2,10-19)9-16-22-20-11-23(16)3/h5-8,11H,4,9H2,1-3H3,(H,21,24)
InChIKeyDKGKNEAYGLSKNZ-UHFFFAOYSA-N
XLogP2.24
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile (CID 59392960) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3nncn3C)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile?
The InChIKey is DKGKNEAYGLSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-12-7-13-5-6-14(8-15(13)21-17(12)24)18(2,10-19)9-16-22-20-11-23(16)3/h5-8,11H,4,9H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile has a molecular weight of 321.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanenitrile is sourced from PubChem (CID 59392960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).