N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid

C25H26F3N3O4 — CID 166363741

IUPACN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc2cc(NC(=O)CCC3Cc4ccccc4CN3)ccc2n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N3O2.C2HF3O2/c1-15-11-18-13-20(7-9-21(18)26(2)23(15)28)25-22(27)10-8-19-12-16-5-3-4-6-17(16)14-24-19;3-2(4,5)1(6)7/h3-7,9,11,13,19,24H,8,10,12,14H2,1-2H3,(H,25,27);(H,6,7)
InChIKeyURPOMDXFFRNDBY-UHFFFAOYSA-N
MW489.49 g/mol
LogP3.91
Rot. Bonds4

About N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid

N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 166363741) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID166363741
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc2cc(NC(=O)CCC3Cc4ccccc4CN3)ccc2n(C)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N3O2.C2HF3O2/c1-15-11-18-13-20(7-9-21(18)26(2)23(15)28)25-22(27)10-8-19-12-16-5-3-4-6-17(16)14-24-19;3-2(4,5)1(6)7/h3-7,9,11,13,19,24H,8,10,12,14H2,1-2H3,(H,25,27);(H,6,7)
InChIKeyURPOMDXFFRNDBY-UHFFFAOYSA-N
XLogP3.91
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;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-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid (CID 166363741) is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid is Cc1cc2cc(NC(=O)CCC3Cc4ccccc4CN3)ccc2n(C)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is URPOMDXFFRNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C2HF3O2/c1-15-11-18-13-20(7-9-21(18)26(2)23(15)28)25-22(27)10-8-19-12-16-5-3-4-6-17(16)14-24-19;3-2(4,5)1(6)7/h3-7,9,11,13,19,24H,8,10,12,14H2,1-2H3,(H,25,27);(H,6,7).
What are the key properties of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid?
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 489.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).