methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

C18H20N2O3S — CID 22194618

IUPACmethyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-15-13(10-12)4-3-8-20(15)11-16(21)19-17-14(7-9-24-17)18(22)23-2/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,19,21)
InChIKeyBSLSHRANKYDNKB-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 22194618) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID22194618
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namemethyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCCc2cc(C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-15-13(10-12)4-3-8-20(15)11-16(21)19-17-14(7-9-24-17)18(22)23-2/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,19,21)
InChIKeyBSLSHRANKYDNKB-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-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-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
methyl 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 22200086
ethyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 17265640
ethyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 22194620
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
methyl 2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22194993
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593590
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 55602216
1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43228672

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 22194618) is methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CN1CCCc2cc(C)ccc21.
What is the InChIKey of methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is BSLSHRANKYDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-5-6-15-13(10-12)4-3-8-20(15)11-16(21)19-17-14(7-9-24-17)18(22)23-2/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-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-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 22194618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).