N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N3O4 — CID 155960172

IUPACN-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNCCN(CC)C(=O)c1ccc2c(C)cc(=O)[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-4-18-8-9-20(5-2)17(22)13-6-7-14-12(3)10-16(21)19-15(14)11-13;3-2(4,5)1(6)7/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,21);(H,6,7)
InChIKeyQGADUVNKTUYHLI-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.54
Rot. Bonds6

About N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid

N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155960172) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155960172
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC NameN-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNCCN(CC)C(=O)c1ccc2c(C)cc(=O)[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N3O2.C2HF3O2/c1-4-18-8-9-20(5-2)17(22)13-6-7-14-12(3)10-16(21)19-15(14)11-13;3-2(4,5)1(6)7/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,21);(H,6,7)
InChIKeyQGADUVNKTUYHLI-UHFFFAOYSA-N
XLogP2.54
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-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 N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155960172) is N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid is CCNCCN(CC)C(=O)c1ccc2c(C)cc(=O)[nH]c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QGADUVNKTUYHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2HF3O2/c1-4-18-8-9-20(5-2)17(22)13-6-7-14-12(3)10-16(21)19-15(14)11-13;3-2(4,5)1(6)7/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,21);(H,6,7).
What are the key properties of N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 415.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)ethyl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155960172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).