methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

C20H20N2O4 — CID 3236476

IUPACmethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-13-10-16-18(26-13)11-17(20(24)25-2)22(16)12-19(23)21-9-5-7-14-6-3-4-8-15(14)21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyHCNZHWJLJVQEKZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.31
Rot. Bonds3

About methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 3236476) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID3236476
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-13-10-16-18(26-13)11-17(20(24)25-2)22(16)12-19(23)21-9-5-7-14-6-3-4-8-15(14)21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyHCNZHWJLJVQEKZ-UHFFFAOYSA-N
XLogP3.31
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 3236476) is methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HCNZHWJLJVQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-10-16-18(26-13)11-17(20(24)25-2)22(16)12-19(23)21-9-5-7-14-6-3-4-8-15(14)21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3.
What are the key properties of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3236476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).