4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C21H22N2O3 — CID 137259412

IUPAC4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-17-13(3)18-11-8-15(12-19(18)23-21(17)25)22-20(24)14-6-9-16(10-7-14)26-5-2/h6-12,18H,4-5H2,1-3H3,(H,23,25)/b22-15+
InChIKeyKCTRSBCEZXGMHG-PXLXIMEGSA-N
MW350.42 g/mol
LogP3.59
Rot. Bonds4

About 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259412) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259412
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-17-13(3)18-11-8-15(12-19(18)23-21(17)25)22-20(24)14-6-9-16(10-7-14)26-5-2/h6-12,18H,4-5H2,1-3H3,(H,23,25)/b22-15+
InChIKeyKCTRSBCEZXGMHG-PXLXIMEGSA-N
XLogP3.59
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259412) is 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CCOc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1.
What is the InChIKey of 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is KCTRSBCEZXGMHG-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-17-13(3)18-11-8-15(12-19(18)23-21(17)25)22-20(24)14-6-9-16(10-7-14)26-5-2/h6-12,18H,4-5H2,1-3H3,(H,23,25)/b22-15+.
What are the key properties of 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).