2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide

C22H24N2O4 — CID 137260041

IUPAC2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1
InChIInChI=1S/C22H24N2O4/c1-4-27-16-6-8-17(9-7-16)28-13-22(26)23-15-5-10-18-19(14(2)3)12-21(25)24-20(18)11-15/h5-12,14,18H,4,13H2,1-3H3,(H,24,25)/b23-15+
InChIKeyJSKOPMNBVBFHJL-HZHRSRAPSA-N
MW380.44 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide

2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137260041) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137260041
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1
InChIInChI=1S/C22H24N2O4/c1-4-27-16-6-8-17(9-7-16)28-13-22(26)23-15-5-10-18-19(14(2)3)12-21(25)24-20(18)11-15/h5-12,14,18H,4,13H2,1-3H3,(H,24,25)/b23-15+
InChIKeyJSKOPMNBVBFHJL-HZHRSRAPSA-N
XLogP3.21
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137260041) is 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide is CCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is JSKOPMNBVBFHJL-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-27-16-6-8-17(9-7-16)28-13-22(26)23-15-5-10-18-19(14(2)3)12-21(25)24-20(18)11-15/h5-12,14,18H,4,13H2,1-3H3,(H,24,25)/b23-15+.
What are the key properties of 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137260041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).