ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate

C23H18N2O4 — CID 1222332

IUPACethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H18N2O4/c1-2-28-23(27)16-9-4-6-11-19(16)25-22(26)17-14-20(21-12-7-13-29-21)24-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,25,26)
InChIKeyOQCDLXPHYWKYBC-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.92
Rot. Bonds5

About ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate

ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 1222332) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
PubChem CID1222332
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Nameethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H18N2O4/c1-2-28-23(27)16-9-4-6-11-19(16)25-22(26)17-14-20(21-12-7-13-29-21)24-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,25,26)
InChIKeyOQCDLXPHYWKYBC-UHFFFAOYSA-N
XLogP4.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate 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-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
CID 43853827
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate (CID 1222332) is ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is OQCDLXPHYWKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-2-28-23(27)16-9-4-6-11-19(16)25-22(26)17-14-20(21-12-7-13-29-21)24-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1222332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).