methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C19H18N2O3S — CID 3244818

IUPACmethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-24-19(23)16-11-14-8-10-25-18(14)21(16)12-17(22)20-9-4-6-13-5-2-3-7-15(13)20/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3
InChIKeyCKZHIVFAECKZSQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.47
Rot. Bonds3

About methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 3244818) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID3244818
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namemethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-24-19(23)16-11-14-8-10-25-18(14)21(16)12-17(22)20-9-4-6-13-5-2-3-7-15(13)20/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3
InChIKeyCKZHIVFAECKZSQ-UHFFFAOYSA-N
XLogP3.47
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 3244818) is methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is CKZHIVFAECKZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-19(23)16-11-14-8-10-25-18(14)21(16)12-17(22)20-9-4-6-13-5-2-3-7-15(13)20/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3.
What are the key properties of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3244818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).