2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile

C24H24N2O2 — CID 59393498

IUPAC2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile
SMILESCCc1cc2ccc(C(C#N)(CCOc3ccccc3)C3CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24N2O2/c1-2-17-14-18-8-9-20(15-22(18)26-23(17)27)24(16-25,19-10-11-19)12-13-28-21-6-4-3-5-7-21/h3-9,14-15,19H,2,10-13H2,1H3,(H,26,27)
InChIKeyLEORUSCHVWJRQI-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.73
Rot. Bonds7

About 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile

2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile (PubChem CID 59393498) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile
PubChem CID59393498
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile
SMILESCCc1cc2ccc(C(C#N)(CCOc3ccccc3)C3CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24N2O2/c1-2-17-14-18-8-9-20(15-22(18)26-23(17)27)24(16-25,19-10-11-19)12-13-28-21-6-4-3-5-7-21/h3-9,14-15,19H,2,10-13H2,1H3,(H,26,27)
InChIKeyLEORUSCHVWJRQI-UHFFFAOYSA-N
XLogP4.73
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile?
The IUPAC name of 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile (CID 59393498) is 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile is CCc1cc2ccc(C(C#N)(CCOc3ccccc3)C3CC3)cc2[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile?
The InChIKey is LEORUSCHVWJRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-17-14-18-8-9-20(15-22(18)26-23(17)27)24(16-25,19-10-11-19)12-13-28-21-6-4-3-5-7-21/h3-9,14-15,19H,2,10-13H2,1H3,(H,26,27).
What are the key properties of 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile?
2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile has a molecular weight of 372.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile is sourced from PubChem (CID 59393498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).