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

C20H23F3N2O3S — CID 118744765

IUPAC1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2
InChIInChI=1S/C18H22N2OS.C2HF3O2/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13;3-2(4,5)1(6)7/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2;(H,6,7)
InChIKeyKKWAPEAARGZQQH-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.60
Rot. Bonds5

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

1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 118744765) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID118744765
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2
InChIInChI=1S/C18H22N2OS.C2HF3O2/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13;3-2(4,5)1(6)7/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2;(H,6,7)
InChIKeyKKWAPEAARGZQQH-UHFFFAOYSA-N
XLogP3.60
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
CID 118744766
1-Propyl-5-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 10064373
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31735887
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31735890
N-(2-methyl-1-thiophen-2-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 46678729
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 49072120
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 56195067
2-oxo-6-thiophen-2-yl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 56197914
1-(2-Methoxyethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155825290
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-(Dimethylamino)ethyl]-6-(thiophen-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155836123

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid (CID 118744765) is 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1ccc2c(n1CC1CC1)CCC(NCc1cccs1)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is KKWAPEAARGZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.C2HF3O2/c21-18-8-5-14-10-15(19-11-16-2-1-9-22-16)6-7-17(14)20(18)12-13-3-4-13;3-2(4,5)1(6)7/h1-2,5,8-9,13,15,19H,3-4,6-7,10-12H2;(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 428.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).