1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid

C24H24F3N3O4 — CID 166261411

IUPAC1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(=O)NCC2NCCc3ccccc32)c2ccccc2n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N3O2.C2HF3O2/c1-14-20(17-9-5-6-10-19(17)25(2)22(14)27)21(26)24-13-18-16-8-4-3-7-15(16)11-12-23-18;3-2(4,5)1(6)7/h3-10,18,23H,11-13H2,1-2H3,(H,24,26);(H,6,7)
InChIKeyLXOKMHFBYLNKAO-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.10
Rot. Bonds3

About 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid

1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166261411) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166261411
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(=O)NCC2NCCc3ccccc32)c2ccccc2n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N3O2.C2HF3O2/c1-14-20(17-9-5-6-10-19(17)25(2)22(14)27)21(26)24-13-18-16-8-4-3-7-15(16)11-12-23-18;3-2(4,5)1(6)7/h3-10,18,23H,11-13H2,1-2H3,(H,24,26);(H,6,7)
InChIKeyLXOKMHFBYLNKAO-UHFFFAOYSA-N
XLogP3.10
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166261411) is 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1c(C(=O)NCC2NCCc3ccccc32)c2ccccc2n(C)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LXOKMHFBYLNKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C2HF3O2/c1-14-20(17-9-5-6-10-19(17)25(2)22(14)27)21(26)24-13-18-16-8-4-3-7-15(16)11-12-23-18;3-2(4,5)1(6)7/h3-10,18,23H,11-13H2,1-2H3,(H,24,26);(H,6,7).
What are the key properties of 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid?
1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 475.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166261411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).