2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide

C22H22N2O4 — CID 137260329

IUPAC2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)cc1
InChIInChI=1S/C22H22N2O4/c1-2-27-15-7-9-16(10-8-15)28-13-21(25)23-14-6-11-18-17-4-3-5-19(17)22(26)24-20(18)12-14/h6-12,18H,2-5,13H2,1H3,(H,24,26)/b23-14+
InChIKeySDSDLHGUEHBYJE-OEAKJJBVSA-N
MW378.43 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide

2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (PubChem CID 137260329) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
PubChem CID137260329
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)cc1
InChIInChI=1S/C22H22N2O4/c1-2-27-15-7-9-16(10-8-15)28-13-21(25)23-14-6-11-18-17-4-3-5-19(17)22(26)24-20(18)12-14/h6-12,18H,2-5,13H2,1H3,(H,24,26)/b23-14+
InChIKeySDSDLHGUEHBYJE-OEAKJJBVSA-N
XLogP3.11
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.11
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-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (CID 137260329) is 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is CCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The InChIKey is SDSDLHGUEHBYJE-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-27-15-7-9-16(10-8-15)28-13-21(25)23-14-6-11-18-17-4-3-5-19(17)22(26)24-20(18)12-14/h6-12,18H,2-5,13H2,1H3,(H,24,26)/b23-14+.
What are the key properties of 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is sourced from PubChem (CID 137260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).