N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C26H26F3N3O3 — CID 155464302

IUPACN-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(CCOCc1ccccc1)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C26H26F3N3O3/c1-17-7-8-19-21(30-24(33)20-9-10-23(26(27,28)29)31-25(20)34)11-12-32(22(19)15-17)13-14-35-16-18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyUQCHDZGJVMGOHV-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.60
Rot. Bonds7

About N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464302) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464302
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC NameN-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)N(CCOCc1ccccc1)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C26H26F3N3O3/c1-17-7-8-19-21(30-24(33)20-9-10-23(26(27,28)29)31-25(20)34)11-12-32(22(19)15-17)13-14-35-16-18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyUQCHDZGJVMGOHV-UHFFFAOYSA-N
XLogP4.60
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide 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-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464302) is N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)N(CCOCc1ccccc1)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UQCHDZGJVMGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-17-7-8-19-21(30-24(33)20-9-10-23(26(27,28)29)31-25(20)34)11-12-32(22(19)15-17)13-14-35-16-18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-1-(2-phenylmethoxyethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).