[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C20H20N2O4 — CID 2096417

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-22(4-2)19(23)13-26-20(24)15-12-17(18-10-7-11-25-18)21-16-9-6-5-8-14(15)16/h5-12H,3-4,13H2,1-2H3
InChIKeyDZHXZSMPYUMPNL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.52
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2096417) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2096417
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H20N2O4/c1-3-22(4-2)19(23)13-26-20(24)15-12-17(18-10-7-11-25-18)21-16-9-6-5-8-14(15)16/h5-12H,3-4,13H2,1-2H3
InChIKeyDZHXZSMPYUMPNL-UHFFFAOYSA-N
XLogP3.52
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate 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

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
2-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
Methyl 1-(2-(furan-2-yl)quinoline-4-carbonyl)piperidine-4-carboxylate
CID 2420130
6-Bromo-2-(2-furanyl)-4-quinolinecarboxylic acid
CID 686152
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
2-(5-Methylfuran-2-yl)quinoline-4-carboxylic acid
CID 693021
2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid
CID 6906548
6-Methoxy-2-(piperidin-1-ylcarbonyl)furo[2,3-b]quinoline
CID 3237525
20-Ethyl-10-(furan-2-carbonyl)-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
CID 53248926
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2096417) is [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is CCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is DZHXZSMPYUMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-22(4-2)19(23)13-26-20(24)15-12-17(18-10-7-11-25-18)21-16-9-6-5-8-14(15)16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2096417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).