methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C23H20N2O4 — CID 6623196

IUPACmethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H20N2O4/c1-28-23(27)18-13-20-22(16-9-3-5-11-19(16)29-20)25(18)14-21(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyLJGHELOPTFSCJN-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.15
Rot. Bonds3

About methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 6623196) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID6623196
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H20N2O4/c1-28-23(27)18-13-20-22(16-9-3-5-11-19(16)29-20)25(18)14-21(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyLJGHELOPTFSCJN-UHFFFAOYSA-N
XLogP4.15
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate with MolForge

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Related Compounds

Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
CID 124155030
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
[(2-Benzofuran-2-yl-quinoline-4-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10160182
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-diethylethane-1,2-diamine
CID 44420781
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole
CID 3236996
N-(2,3-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 3237615
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 6623196) is methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2oc3ccccc3c2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is LJGHELOPTFSCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-23(27)18-13-20-22(16-9-3-5-11-19(16)29-20)25(18)14-21(26)24-12-6-8-15-7-2-4-10-17(15)24/h2-5,7,9-11,13H,6,8,12,14H2,1H3.
What are the key properties of methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 6623196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).