(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C22H17NO6 — CID 8853364

IUPAC(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H17NO6/c1-2-27-22(26)20-16(14-8-4-6-10-18(14)29-20)12-28-21(25)15-11-19(24)23-17-9-5-3-7-13(15)17/h3-11H,2,12H2,1H3,(H,23,24)
InChIKeyGGKGDJUDHMKIEM-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.81
Rot. Bonds5

About (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8853364) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8853364
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H17NO6/c1-2-27-22(26)20-16(14-8-4-6-10-18(14)29-20)12-28-21(25)15-11-19(24)23-17-9-5-3-7-13(15)17/h3-11H,2,12H2,1H3,(H,23,24)
InChIKeyGGKGDJUDHMKIEM-UHFFFAOYSA-N
XLogP3.81
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-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

ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560216
ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 9478350
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8789210
ethyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8510356

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 8853364) is (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is GGKGDJUDHMKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c1-2-27-22(26)20-16(14-8-4-6-10-18(14)29-20)12-28-21(25)15-11-19(24)23-17-9-5-3-7-13(15)17/h3-11H,2,12H2,1H3,(H,23,24).
What are the key properties of (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 391.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8853364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).