methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate

C18H20N2O3S — CID 22200086

IUPACmethyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12-10-14(18(22)23-2)17(24-12)19-16(21)11-20-9-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,19,21)
InChIKeyODJCRLPIWGZQLR-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate

methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 22200086) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID22200086
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namemethyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12-10-14(18(22)23-2)17(24-12)19-16(21)11-20-9-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,19,21)
InChIKeyODJCRLPIWGZQLR-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
ethyl 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 2816851
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
methyl 5-[(E)-3-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24559634
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate
CID 5127951
N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686621
methyl 5-methyl-2-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]thiophene-3-carboxylate
CID 4509726
ethyl 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2654361
methyl 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylate
CID 19686790
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate (CID 22200086) is methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is ODJCRLPIWGZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-10-14(18(22)23-2)17(24-12)19-16(21)11-20-9-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 22200086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).