1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid

C19H23F3N2O4S — CID 155825290

IUPAC1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOCCn1c2c(ccc1=O)CC(NCc1cccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2O2S.C2HF3O2/c1-21-9-8-19-16-6-5-14(11-13(16)4-7-17(19)20)18-12-15-3-2-10-22-15;3-2(4,5)1(6)7/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3;(H,6,7)
InChIKeyBLUSIRCUUPVELS-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.84
Rot. Bonds6

About 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155825290) has the molecular formula C19H23F3N2O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID155825290
Molecular FormulaC19H23F3N2O4S
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Name1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOCCn1c2c(ccc1=O)CC(NCc1cccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2O2S.C2HF3O2/c1-21-9-8-19-16-6-5-14(11-13(16)4-7-17(19)20)18-12-15-3-2-10-22-15;3-2(4,5)1(6)7/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3;(H,6,7)
InChIKeyBLUSIRCUUPVELS-UHFFFAOYSA-N
XLogP2.84
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(E)-but-2-enedioic acid;1-propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118718308
1-(Cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 118744765
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 43042503
1-[2-(Dimethylamino)ethyl]-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155830787
1-(2-Methoxyethyl)-6-(thiophen-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155831591
1-[2-(Dimethylamino)ethyl]-6-(thiophen-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155836123
1-(2-Methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155845893
1-[2-(Dimethylamino)ethyl]-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155851570
1-Ethyl-6-(thiophen-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155853125
ethyl 2-[methyl-[[6-oxo-5-(1-thiophen-2-ylethylcarbamoyl)-1H-pyridin-2-yl]methyl]amino]acetate
CID 126466134
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
CID 134073719
3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 58808705

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid (CID 155825290) is 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid is COCCn1c2c(ccc1=O)CC(NCc1cccs1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is BLUSIRCUUPVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.C2HF3O2/c1-21-9-8-19-16-6-5-14(11-13(16)4-7-17(19)20)18-12-15-3-2-10-22-15;3-2(4,5)1(6)7/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 432.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).