N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide

C22H24N2O3 — CID 137259731

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C22H24N2O3/c1-5-27-19-9-7-6-8-16(19)21(26)23-14-10-11-15-17(22(2,3)4)13-20(25)24-18(15)12-14/h6-13,15H,5H2,1-4H3,(H,24,25)/b23-14+
InChIKeyJBRAYRUWJOFRTF-OEAKJJBVSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds3

About N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide (PubChem CID 137259731) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
PubChem CID137259731
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C22H24N2O3/c1-5-27-19-9-7-6-8-16(19)21(26)23-14-10-11-15-17(22(2,3)4)13-20(25)24-18(15)12-14/h6-13,15H,5H2,1-4H3,(H,24,25)/b23-14+
InChIKeyJBRAYRUWJOFRTF-OEAKJJBVSA-N
XLogP3.84
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259209
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
CID 68623178
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
CID 167999843
4-chloro-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259978
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566286
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
potassium;2-ethoxybenzoic acid;hydride
CID 175278645

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide (CID 137259731) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide is CCOc1ccccc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide?
The InChIKey is JBRAYRUWJOFRTF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-27-19-9-7-6-8-16(19)21(26)23-14-10-11-15-17(22(2,3)4)13-20(25)24-18(15)12-14/h6-13,15H,5H2,1-4H3,(H,24,25)/b23-14+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide is sourced from PubChem (CID 137259731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).