N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C26H23F3N2O3 — CID 46879319

IUPACN-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C26H23F3N2O3/c1-17-16-24(31(18(2)32)20-8-4-3-5-9-20)22-10-6-7-11-23(22)30(17)25(33)19-12-14-21(15-13-19)34-26(27,28)29/h3-15,17,24H,16H2,1-2H3
InChIKeyUNMNTCJQSOPSJA-UHFFFAOYSA-N
MW468.48 g/mol
LogP6.12
Rot. Bonds4

About N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 46879319) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID46879319
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC NameN-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C26H23F3N2O3/c1-17-16-24(31(18(2)32)20-8-4-3-5-9-20)22-10-6-7-11-23(22)30(17)25(33)19-12-14-21(15-13-19)34-26(27,28)29/h3-15,17,24H,16H2,1-2H3
InChIKeyUNMNTCJQSOPSJA-UHFFFAOYSA-N
XLogP6.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide 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-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 46879319) is N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is UNMNTCJQSOPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-17-16-24(31(18(2)32)20-8-4-3-5-9-20)22-10-6-7-11-23(22)30(17)25(33)19-12-14-21(15-13-19)34-26(27,28)29/h3-15,17,24H,16H2,1-2H3.
What are the key properties of N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 468.48 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 46879319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).