ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate

C22H24N2O3S — CID 594222

IUPACethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate
SMILESCCOC(=O)C(C(=O)c1cc(-c2cccs2)nc2ccccc12)N(CC)CC
InChIInChI=1S/C22H24N2O3S/c1-4-24(5-2)20(22(26)27-6-3)21(25)16-14-18(19-12-9-13-28-19)23-17-11-8-7-10-15(16)17/h7-14,20H,4-6H2,1-3H3
InChIKeyWDDFOULREUTFBS-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.42
Rot. Bonds8

About ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate

ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate (PubChem CID 594222) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate
PubChem CID594222
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Nameethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate
SMILESCCOC(=O)C(C(=O)c1cc(-c2cccs2)nc2ccccc12)N(CC)CC
InChIInChI=1S/C22H24N2O3S/c1-4-24(5-2)20(22(26)27-6-3)21(25)16-14-18(19-12-9-13-28-19)23-17-11-8-7-10-15(16)17/h7-14,20H,4-6H2,1-3H3
InChIKeyWDDFOULREUTFBS-UHFFFAOYSA-N
XLogP4.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2098293
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 55314280
(4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate?
The IUPAC name of ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate (CID 594222) is ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate.
What is the SMILES notation for ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate?
The canonical SMILES for ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate is CCOC(=O)C(C(=O)c1cc(-c2cccs2)nc2ccccc12)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate?
The InChIKey is WDDFOULREUTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-24(5-2)20(22(26)27-6-3)21(25)16-14-18(19-12-9-13-28-19)23-17-11-8-7-10-15(16)17/h7-14,20H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate?
ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate has a molecular weight of 396.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate is sourced from PubChem (CID 594222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).