ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

C19H22N2O4S — CID 55602216

IUPACethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN1CCCc2cccc(OC)c21
InChIInChI=1S/C19H22N2O4S/c1-3-25-19(23)14-9-11-26-18(14)20-16(22)12-21-10-5-7-13-6-4-8-15(24-2)17(13)21/h4,6,8-9,11H,3,5,7,10,12H2,1-2H3,(H,20,22)
InChIKeyCRXQZWAIPXVXHJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.32
Rot. Bonds6

About ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 55602216) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID55602216
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN1CCCc2cccc(OC)c21
InChIInChI=1S/C19H22N2O4S/c1-3-25-19(23)14-9-11-26-18(14)20-16(22)12-21-10-5-7-13-6-4-8-15(24-2)17(13)21/h4,6,8-9,11H,3,5,7,10,12H2,1-2H3,(H,20,22)
InChIKeyCRXQZWAIPXVXHJ-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

N-(2-bromophenyl)-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46601828
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
ethyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 62838370
ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
CID 46405824
2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46405841
ethyl 2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46482700
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025
ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 38366260
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 55602216) is ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CN1CCCc2cccc(OC)c21.
What is the InChIKey of ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is CRXQZWAIPXVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-25-19(23)14-9-11-26-18(14)20-16(22)12-21-10-5-7-13-6-4-8-15(24-2)17(13)21/h4,6,8-9,11H,3,5,7,10,12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55602216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).