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

C21H20N2O4 — CID 137260327

IUPAC2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCOc1cccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)c1
InChIInChI=1S/C21H20N2O4/c1-26-14-4-2-5-15(11-14)27-12-20(24)22-13-8-9-17-16-6-3-7-18(16)21(25)23-19(17)10-13/h2,4-5,8-11,17H,3,6-7,12H2,1H3,(H,23,25)/b22-13+
InChIKeySLRMNLQHQRELHW-LPYMAVHISA-N
MW364.40 g/mol
LogP2.72
Rot. Bonds4

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

2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (PubChem CID 137260327) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
PubChem CID137260327
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCOc1cccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)c1
InChIInChI=1S/C21H20N2O4/c1-26-14-4-2-5-15(11-14)27-12-20(24)22-13-8-9-17-16-6-3-7-18(16)21(25)23-19(17)10-13/h2,4-5,8-11,17H,3,6-7,12H2,1H3,(H,23,25)/b22-13+
InChIKeySLRMNLQHQRELHW-LPYMAVHISA-N
XLogP2.72
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.72
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-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (CID 137260327) is 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is COc1cccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The InChIKey is SLRMNLQHQRELHW-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-14-4-2-5-15(11-14)27-12-20(24)22-13-8-9-17-16-6-3-7-18(16)21(25)23-19(17)10-13/h2,4-5,8-11,17H,3,6-7,12H2,1H3,(H,23,25)/b22-13+.
What are the key properties of 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is sourced from PubChem (CID 137260327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).