N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

C20H24F3N3O4S — CID 118744579

IUPACN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2S.C2HF3O2/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14;3-2(4,5)1(6)7/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyFOIVDHGZHLDMTN-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.39
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744579) has the molecular formula C20H24F3N3O4S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744579
Molecular FormulaC20H24F3N3O4S
Molecular Weight459.49 g/mol
Exact Mass459.14
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2S.C2HF3O2/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14;3-2(4,5)1(6)7/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyFOIVDHGZHLDMTN-UHFFFAOYSA-N
XLogP2.39
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118744579) is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FOIVDHGZHLDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.C2HF3O2/c1-20(2)8-9-21-16-5-4-15(11-13(16)3-6-17(21)22)19-18(23)14-7-10-24-12-14;3-2(4,5)1(6)7/h3,6-7,10,12,15H,4-5,8-9,11H2,1-2H3,(H,19,23);(H,6,7).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 459.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).